| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 14th, 2011 | 25 | Yes |
Popular Name: (2S,4R)-4-amino-1-[3-(1H-benzimidazol-2-yl)propanoyl]-N-isopropyl-pyrrolidine-2-carboxamide (2S,4R)-4-amino-1-[3-(1H-benzimi…
| 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) | 0.10 | 3.4 | -66.79 | 5 | 7 | 1 | 106 | 344.439 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.10 | 3.13 | -17.47 | 4 | 7 | 0 | 104 | 343.431 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.10 | 3.87 | -104.39 | 6 | 7 | 2 | 107 | 345.447 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
