In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 15th, 2009 | 33 | 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) | 5.01 | 14.94 | -11.1 | 0 | 4 | 0 | 47 | 441.571 | 9 | ↓ |
Mid Mid (pH 6-8) | 5.01 | 17.13 | -44.39 | 1 | 4 | 1 | 48 | 442.579 | 9 | ↓ |