In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 30 | 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) | 3.94 | 8.37 | -13.21 | 0 | 6 | 0 | 65 | 403.434 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.94 | 11.22 | -55.18 | 1 | 6 | 1 | 66 | 404.442 | 4 | ↓ |