In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 7th, 2010 | 26 | 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) | 0.95 | 5.45 | -12.84 | 1 | 8 | 0 | 85 | 396.542 | 7 | ↓ |
Lo Low (pH 4.5-6) | 0.95 | 7.63 | -48.57 | 2 | 8 | 1 | 86 | 397.55 | 7 | ↓ |