In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 6th, 2010 | 38 | 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) | 2.04 | 9.27 | -30.42 | 1 | 9 | 0 | 91 | 520.63 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.04 | 11.48 | -76.33 | 2 | 9 | 1 | 93 | 521.638 | 8 | ↓ |