| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2010 | 21 | Yes |
Popular Name: (1S)-1-(1-ethyl-5-methyl-benzimidazol-2-yl)-1-phenyl-ethanamine (1S)-1-(1-ethyl-5-methyl-benzimi…
| 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) | 3.81 | 8.2 | -7.69 | 2 | 3 | 0 | 44 | 279.387 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.81 | 8.57 | -22.54 | 3 | 3 | 1 | 45 | 280.395 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.81 | 8.39 | -45.99 | 3 | 3 | 1 | 45 | 280.395 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.81 | 8.8 | -101.05 | 4 | 3 | 2 | 47 | 281.403 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
