In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 17th, 2009 | 28 | Yes |
Popular Name: 2-(2-cyanoethyl)-3-methyl-1-(4-methylanilino)pyrido[1,2-a]benzimidazole-4-carbonitrile 2-(2-cyanoethyl)-3-methyl-1-(4-m…
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) | 5.26 | 13.57 | -21.87 | 1 | 5 | 0 | 77 | 365.44 | 4 | ↓ |
Lo Low (pH 4.5-6) | 5.26 | 13.98 | -38.8 | 2 | 5 | 1 | 78 | 366.448 | 4 | ↓ |