In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 18th, 2009 | 20 | Yes |
Popular Name: (2R)-2-[4-chloro-2-(methylaminomethyl)phenoxy]-1-pyrrolidin-1-yl-propan-1-one (2R)-2-[4-chloro-2-(methylaminom…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 2.28 | 7.42 | -36.4 | 2 | 4 | 1 | 46 | 297.806 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.28 | 5.97 | -10.64 | 1 | 4 | 0 | 42 | 296.798 | 5 | ↓ |
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 3.17 | 0.9 | -11.37 | 0 | 3 | 0 | 29 | 267.756 | 3 | ↓ |
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 3.17 | 0.93 | -11.07 | 0 | 3 | 0 | 29 | 267.756 | 3 | ↓ |
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 5.64 | 2.82 | -10.08 | 0 | 3 | 0 | 29 | 325.88 | 9 | ↓ |
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 5.64 | 2.81 | -10.37 | 0 | 3 | 0 | 29 | 325.88 | 9 | ↓ |
Popular Name: 5-chloro-2-(1-pyrrolidin-1-ylcarbonylethoxy)benzamide 5-chloro-2-(1-pyrrolidin-1-ylcar…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 2.08 | -1.59 | -21.55 | 2 | 5 | 0 | 72 | 296.754 | 4 | ↓ |
Popular Name: 5-chloro-2-(1-pyrrolidin-1-ylcarbonylethoxy)benzamide 5-chloro-2-(1-pyrrolidin-1-ylcar…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 2.08 | -1.62 | -21.85 | 2 | 5 | 0 | 72 | 296.754 | 4 | ↓ |
Popular Name: 2-(4-chloro-2-methylphenoxy)-1-(piperidin-1-yl)propan-1-one 2-(4-chloro-2-methylphenoxy)-1-(…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 3.67 | 8.93 | -10.45 | 0 | 3 | 0 | 30 | 281.783 | 3 | ↓ |
Popular Name: 2-(4-chloro-2-methylphenoxy)-1-(piperidin-1-yl)propan-1-one 2-(4-chloro-2-methylphenoxy)-1-(…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 3.67 | 8.89 | -10.63 | 0 | 3 | 0 | 30 | 281.783 | 3 | ↓ |
Popular Name: N-tert-butyl-2-[2-(butylaminomethyl)-4-chloro-phenoxy]acetamide N-tert-butyl-2-[2-(butylaminomet…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 3.89 | 8.18 | -39.62 | 3 | 4 | 1 | 55 | 327.876 | 9 | ↓ |