In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 7th, 2010 | 36 | Yes |
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) | 2.03 | 6.96 | -71.27 | 4 | 8 | 1 | 108 | 517.647 | 10 | ↓ |
Mid Mid (pH 6-8) | 2.03 | 5.61 | -23.28 | 3 | 8 | 0 | 104 | 516.639 | 10 | ↓ |