| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 7th, 2014 | 15 | No |
Popular Name: 2-Propenenitrile, 2-methyl-3-(1-methyl-1H-benzimidazol-6-yl)- (9CI) 2-Propenenitrile, 2-methyl-3-(1-…
Find On: PubMed — Wikipedia — Google
CAS Number: 181867-36-7
| 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) | 2.53 | 7.9 | -15.5 | 0 | 3 | 0 | 42 | 197.241 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 2.53 | 8.38 | -37.93 | 1 | 3 | 1 | 43 | 198.249 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.