| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2010 | 20 | Yes |
Popular Name: (1S)-1-(1,5-dimethylbenzimidazol-2-yl)-1-phenyl-ethanamine (1S)-1-(1,5-dimethylbenzimidazol…
| 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) | 3.44 | 7.26 | -9.5 | 2 | 3 | 0 | 44 | 265.36 | 2 | ↓ |
| Mid Mid (pH 6-8) | 3.44 | 7.5 | -47.04 | 3 | 3 | 1 | 45 | 266.368 | 2 | ↓ |
| Mid Mid (pH 6-8) | 3.44 | 7.7 | -23.81 | 3 | 3 | 1 | 45 | 266.368 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 3.44 | 7.89 | -104.02 | 4 | 3 | 2 | 47 | 267.376 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
