| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 18th, 2011 | 20 | Yes |
Popular Name: (2S,4R)-4-amino-1-(1H-benzimidazol-2-ylmethyl)-N-methyl-pyrrolidine-2-carboxamide (2S,4R)-4-amino-1-(1H-benzimidaz…
| 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) | -0.57 | -0.16 | -68.6 | 5 | 6 | 1 | 89 | 274.348 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.57 | -0.45 | -17.7 | 4 | 6 | 0 | 87 | 273.34 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.57 | 0.81 | -101.46 | 6 | 6 | 2 | 90 | 275.356 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
