In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 12th, 2008 | 29 | 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) | 4.58 | 10.41 | -49.75 | 2 | 5 | 1 | 46 | 459.408 | 7 | ↓ |
Mid Mid (pH 6-8) | 4.58 | 8.1 | -10.54 | 1 | 5 | 0 | 45 | 458.4 | 7 | ↓ |