| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 15th, 2011 | 19 | Yes |
Popular Name: (1S)-1-[4-(benzimidazol-1-yl)-3-bromo-phenyl]ethanamine (1S)-1-[4-(benzimidazol-1-yl)-3-…
| 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) | 1.58 | 8.57 | -57.97 | 3 | 3 | 1 | 45 | 317.21 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.58 | 8.24 | -7.94 | 2 | 3 | 0 | 44 | 316.202 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 1.58 | 9.04 | -94.45 | 4 | 3 | 2 | 47 | 318.218 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
