In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 6th, 2010 | 33 | No |
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) | 3.80 | 8.39 | -25.89 | 1 | 7 | 0 | 84 | 462.575 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.80 | 10.68 | -52.78 | 2 | 7 | 1 | 86 | 463.583 | 7 | ↓ |