In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 16th, 2010 | 26 | Yes |
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) | 1.52 | -0.44 | -10.46 | 2 | 6 | 0 | 65 | 439.297 | 10 | ↓ |
Mid Mid (pH 6-8) | 1.52 | 1.86 | -39.78 | 3 | 6 | 1 | 67 | 440.305 | 10 | ↓ |
Mid Mid (pH 6-8) | 1.52 | 1.91 | -35.99 | 3 | 6 | 1 | 67 | 440.305 | 10 | ↓ |