In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 22nd, 2008 | 31 | No |
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) | 1.26 | 7.7 | -51.41 | 1 | 9 | 1 | 87 | 443.505 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.26 | 5.38 | -11.37 | 0 | 9 | 0 | 86 | 442.497 | 6 | ↓ |