In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 23rd, 2009 | 30 | 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) | 0.89 | 3.37 | -15.93 | 1 | 8 | 0 | 81 | 424.538 | 12 | ↓ |
Mid Mid (pH 6-8) | 0.89 | 5.68 | -51.56 | 2 | 8 | 1 | 82 | 425.546 | 12 | ↓ |