In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 2nd, 2010 | 34 | Yes |
Popular Name: N-[3-[1-[4-(2,5-dimethylphenoxy)butyl]benzimidazol-2-yl]propyl]pyridine-4-carboxamide N-[3-[1-[4-(2,5-dimethylphenoxy)…
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) | 4.63 | 13.2 | -17.74 | 1 | 6 | 0 | 69 | 456.59 | 11 | ↓ |
Mid Mid (pH 6-8) | 4.63 | 13.5 | -43.74 | 2 | 6 | 1 | 70 | 457.598 | 11 | ↓ |
Popular Name: 2,2-dimethyl-N-[3-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]propyl]propanamide 2,2-dimethyl-N-[3-[1-[4-(2-methy…
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) | 5.81 | 13.22 | -15.66 | 1 | 5 | 0 | 56 | 421.585 | 11 | ↓ |
Popular Name: N-[3-[1-[4-(2-methylphenoxy)butyl]benzoimidazol-2-yl]propyl]formamide N-[3-[1-[4-(2-methylphenoxy)buty…
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) | 3.84 | 10.44 | -16.68 | 1 | 5 | 0 | 56 | 365.477 | 10 | ↓ |
Popular Name: 3-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]propan-1-amine 3-[1-[4-(2-methylphenoxy)butyl]b…
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) | 3.48 | 10.2 | -55.22 | 3 | 4 | 1 | 55 | 338.475 | 9 | ↓ |
Mid Mid (pH 6-8) | 3.48 | 10.62 | -103.2 | 4 | 4 | 2 | 56 | 339.483 | 9 | ↓ |
Popular Name: N-[3-(1-butylbenzoimidazol-2-yl)propyl]-2-methoxy-benzamide N-[3-(1-butylbenzoimidazol-2-yl)…
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) | 4.87 | 0 | -17.22 | 1 | 5 | 0 | 56 | 365.477 | 9 | ↓ |
Mid Mid (pH 6-8) | 1.46 | 0.17 | -39.1 | 2 | 5 | 1 | 58 | 366.485 | 9 | ↓ |
Popular Name: N-[3-[1-[3-(2-methylphenoxy)propyl]benzoimidazol-2-yl]propyl]formamide N-[3-[1-[3-(2-methylphenoxy)prop…
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) | 3.57 | -0.8 | -17.44 | 1 | 5 | 0 | 56 | 351.45 | 9 | ↓ |
Popular Name: 2-methoxy-N-[3-(1-propylbenzoimidazol-2-yl)propyl]benzamide 2-methoxy-N-[3-(1-propylbenzoimi…
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) | 4.31 | 10.7 | -17.25 | 1 | 5 | 0 | 56 | 351.45 | 8 | ↓ |
Mid Mid (pH 6-8) | 4.31 | 11 | -37.96 | 2 | 5 | 1 | 57 | 352.458 | 8 | ↓ |