In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 7th, 2009 | 31 | 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) | 2.23 | 7.11 | -13.94 | 1 | 9 | 0 | 93 | 423.425 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.23 | 7.59 | -49.88 | 2 | 9 | 1 | 94 | 424.433 | 5 | ↓ |