In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 36 | 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) | 4.86 | 9.76 | -12.12 | 0 | 7 | 0 | 70 | 487.552 | 7 | ↓ |
Lo Low (pH 4.5-6) | 4.86 | 12.63 | -53.45 | 1 | 7 | 1 | 72 | 488.56 | 7 | ↓ |