In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 7th, 2007 | 34 | 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) | 2.87 | 1.01 | -77.84 | 2 | 10 | 2 | 86 | 472.638 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.87 | 1.3 | -161.15 | 3 | 10 | 3 | 87 | 473.646 | 6 | ↓ |