In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 8th, 2010 | 19 | Yes |
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) | 1.77 | 6.51 | -50.92 | 1 | 5 | -1 | 82 | 263.317 | 9 | ↓ |
Lo Low (pH 4.5-6) | 1.77 | 4.53 | -12.49 | 2 | 5 | 0 | 79 | 264.325 | 9 | ↓ |