| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 15th, 2011 | 19 | Yes |
Popular Name: (1S)-1-[4-(benzimidazol-1-yl)-3-chloro-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) | 1.45 | 8.49 | -58.12 | 3 | 3 | 1 | 45 | 272.759 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.45 | 8.16 | -8.22 | 2 | 3 | 0 | 44 | 271.751 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 1.45 | 8.97 | -94.3 | 4 | 3 | 2 | 47 | 273.767 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
