In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 21st, 2009 | 32 | 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) | 0.86 | 5.45 | -18.48 | 2 | 9 | 0 | 109 | 432.484 | 7 | ↓ |
Lo Low (pH 4.5-6) | 0.86 | 5.85 | -48.05 | 3 | 9 | 1 | 110 | 433.492 | 7 | ↓ |