In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 5th, 2008 | 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) | 1.47 | 0.26 | -21.17 | 1 | 9 | 0 | 113 | 459.59 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.47 | 2.47 | -51.32 | 2 | 9 | 1 | 114 | 460.598 | 6 | ↓ |