| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 3rd, 2011 | 21 | Yes |
Popular Name: (2S)-2-(cyclopropylamino)-4-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]butanoic (2S)-2-(cyclopropylamino)-4-[(5-…
| 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) | 0.97 | 8.16 | -34.3 | 3 | 5 | 0 | 85 | 305.403 | 7 | ↓ |
| Hi High (pH 8-9.5) | 0.97 | 7.19 | -46.47 | 2 | 5 | -1 | 81 | 304.395 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 0.97 | 8.46 | -66.72 | 4 | 5 | 1 | 87 | 306.411 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
