| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 17th, 2011 | 20 | Yes |
Popular Name: (3S)-4-(1H-benzimidazol-2-ylmethyl)-3-ethyl-3-methyl-piperazin-2-one (3S)-4-(1H-benzimidazol-2-ylmeth…
| 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) | 1.62 | 3.11 | -10.39 | 2 | 5 | 0 | 61 | 272.352 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.62 | 3.43 | -39.11 | 3 | 5 | 1 | 62 | 273.36 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.62 | 4.62 | -41.61 | 3 | 5 | 1 | 62 | 273.36 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.62 | 4.89 | -114.9 | 4 | 5 | 2 | 63 | 274.368 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
