In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 31 | No |
None
None
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) | 5.02 | 9.54 | -9.56 | 0 | 5 | 0 | 52 | 478.342 | 4 | ↓ |
Lo Low (pH 4.5-6) | 5.02 | 12.42 | -47.28 | 1 | 5 | 1 | 53 | 479.35 | 4 | ↓ |