In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 16th, 2010 | 25 | Yes |
Popular Name: 1-[(E)-cinnamyl]-2-[(1S)-1-pyrrolidin-1-ylethyl]benzimidazole 1-[(E)-cinnamyl]-2-[(1S)-1-pyrro…
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) | 4.72 | 13.4 | -37.45 | 1 | 3 | 1 | 22 | 332.471 | 5 | ↓ |
Mid Mid (pH 6-8) | 4.72 | 10.99 | -10.02 | 0 | 3 | 0 | 21 | 331.463 | 5 | ↓ |
Mid Mid (pH 6-8) | 4.72 | 11.68 | -25.52 | 1 | 3 | 1 | 22 | 332.471 | 5 | ↓ |
Lo Low (pH 4.5-6) | 4.72 | 13.97 | -102.14 | 2 | 3 | 2 | 24 | 333.479 | 5 | ↓ |