| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 15th, 2011 | 21 | Yes |
Popular Name: (1S)-1-[3-bromo-4-(5,6-dimethylbenzimidazol-1-yl)phenyl]ethanamine (1S)-1-[3-bromo-4-(5,6-dimethylb…
| 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) | 2.39 | 9.77 | -56.15 | 3 | 3 | 1 | 45 | 345.264 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.39 | 9.43 | -8.35 | 2 | 3 | 0 | 44 | 344.256 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 2.39 | 10.24 | -90.25 | 4 | 3 | 2 | 47 | 346.272 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
