In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 18th, 2007 | 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) | 4.66 | 12.97 | -77.21 | 1 | 6 | 0 | 74 | 515.448 | 9 | ↓ |
Mid Mid (pH 6-8) | 4.08 | 1.11 | -47.41 | 1 | 6 | 1 | 68 | 516.456 | 9 | ↓ |