In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 6th, 2010 | 19 | Yes |
Popular Name: 3-(7-chloro-2-cyclopropyl-benzimidazol-1-yl)-N,N-dimethyl-propan-1-amine 3-(7-chloro-2-cyclopropyl-benzim…
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) | 2.88 | 10.51 | -42.84 | 1 | 3 | 1 | 22 | 278.807 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.88 | 10.84 | -81.18 | 2 | 3 | 2 | 24 | 279.815 | 5 | ↓ |
Popular Name: 4-[7-chloro-2-[(1S)-1-chloroethyl]benzimidazol-1-yl]-N,N-dimethyl-butan-1-amine 4-[7-chloro-2-[(1S)-1-chloroethy…
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) | 3.74 | 10.71 | -44.19 | 1 | 3 | 1 | 22 | 315.268 | 6 | ↓ |
Lo Low (pH 4.5-6) | 3.74 | 11.12 | -79.89 | 2 | 3 | 2 | 24 | 316.276 | 6 | ↓ |
Popular Name: 4-[7-chloro-2-[(1R)-1-chloroethyl]benzimidazol-1-yl]-N,N-dimethyl-butan-1-amine 4-[7-chloro-2-[(1R)-1-chloroethy…
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) | 3.74 | 10.76 | -43.03 | 1 | 3 | 1 | 22 | 315.268 | 6 | ↓ |
Lo Low (pH 4.5-6) | 3.74 | 11.2 | -78.76 | 2 | 3 | 2 | 24 | 316.276 | 6 | ↓ |
Popular Name: 4-[7-chloro-2-(2-chloroethyl)benzimidazol-1-yl]-N,N-dimethyl-butan-1-amine 4-[7-chloro-2-(2-chloroethyl)ben…
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) | 3.59 | 10.79 | -41.84 | 1 | 3 | 1 | 22 | 315.268 | 7 | ↓ |
Lo Low (pH 4.5-6) | 3.59 | 11.38 | -81.79 | 2 | 3 | 2 | 24 | 316.276 | 7 | ↓ |
Popular Name: 3-[7-chloro-2-(chloromethyl)benzimidazol-1-yl]-N,N,2,2-tetramethyl-propan-1-amine 3-[7-chloro-2-(chloromethyl)benz…
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) | 4.00 | 9.48 | -43.74 | 1 | 3 | 1 | 22 | 315.268 | 5 | ↓ |
Lo Low (pH 4.5-6) | 4.00 | 9.92 | -84.45 | 2 | 3 | 2 | 24 | 316.276 | 5 | ↓ |