| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 13th, 2011 | 21 | Yes |
Popular Name: (1S,2S)-1-(2-ethylbenzimidazol-1-yl)-1-(1-methylpyrazol-4-yl)propan-2-amine (1S,2S)-1-(2-ethylbenzimidazol-1…
| 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) | 1.32 | 6.27 | -52.31 | 3 | 5 | 1 | 63 | 284.387 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.32 | 6.05 | -13.46 | 2 | 5 | 0 | 62 | 283.379 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.32 | 6.61 | -100.75 | 4 | 5 | 2 | 65 | 285.395 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
