In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 25th, 2007 | 31 | 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) | 5.60 | 12.2 | -11.63 | 0 | 5 | 0 | 57 | 453.995 | 3 | ↓ |
Lo Low (pH 4.5-6) | 5.60 | -0.48 | -28.83 | 1 | 5 | 1 | 58 | 455.003 | 3 | ↓ |