In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 13th, 2010 | 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) | 6.57 | 13.74 | -9.75 | 0 | 5 | 0 | 47 | 485.719 | 10 | ↓ |
Lo Low (pH 4.5-6) | 6.57 | 15.88 | -39.64 | 1 | 5 | 1 | 49 | 486.727 | 10 | ↓ |