In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 27th, 2007 | 35 | 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) | 4.60 | 12.02 | -41.39 | 0 | 6 | -1 | 79 | 474.508 | 9 | ↓ |
Mid Mid (pH 6-8) | 4.02 | 0.98 | -23.87 | 0 | 6 | 0 | 72 | 475.516 | 9 | ↓ |