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) | 3.77 | 7.06 | -12.85 | 0 | 7 | 0 | 74 | 417.417 | 3 | ↓ |
Lo Low (pH 4.5-6) | 3.77 | 9.91 | -46.96 | 1 | 7 | 1 | 75 | 418.425 | 3 | ↓ |