In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 13th, 2009 | 36 | 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) | 5.12 | 12.03 | -12.56 | 1 | 5 | 0 | 54 | 503.643 | 11 | ↓ |
Lo Low (pH 4.5-6) | 5.12 | 13.87 | -60.08 | 2 | 5 | 1 | 56 | 504.651 | 11 | ↓ |