In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 22nd, 2009 | 35 | 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) | 1.97 | 8.56 | -22.38 | 1 | 8 | 0 | 78 | 476.577 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.97 | 10.88 | -69.32 | 2 | 8 | 1 | 79 | 477.585 | 6 | ↓ |