In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 6th, 2007 | 32 | 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) | 1.70 | -2.81 | -57.38 | 2 | 9 | 1 | 112 | 462.548 | 8 | ↓ |
Mid Mid (pH 6-8) | 0.67 | -2.97 | -52.15 | 1 | 9 | 1 | 109 | 462.548 | 9 | ↓ |