| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 20th, 2011 | 20 | Yes |
Popular Name: (2R)-3-(1H-benzimidazol-2-ylsulfanyl)-2-cyclopropyl-2-(methylamino)propanamide (2R)-3-(1H-benzimidazol-2-ylsulf…
| 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) | 1.79 | 3.39 | -46.76 | 5 | 5 | 1 | 88 | 291.4 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.79 | 2.25 | -11.11 | 4 | 5 | 0 | 84 | 290.392 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.79 | 3.4 | -97.42 | 6 | 5 | 2 | 90 | 292.408 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
