In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 34 | Yes |
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) | 3.74 | 9.03 | -20.97 | 0 | 8 | 0 | 91 | 461.47 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.74 | 11.9 | -50.28 | 1 | 8 | 1 | 93 | 462.478 | 4 | ↓ |