In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 19th, 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) | 3.03 | 12.89 | -19.13 | 0 | 7 | 0 | 88 | 439.519 | 7 | ↓ |
Lo Low (pH 4.5-6) | 3.03 | 13.33 | -47.05 | 1 | 7 | 1 | 89 | 440.527 | 7 | ↓ |