In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 30th, 2005 | 34 | No |
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) | -0.68 | -5.35 | -97.17 | 4 | 13 | 0 | 176 | 525.642 | 10 | ↓ |
Lo Low (pH 4.5-6) | -0.68 | -5.24 | -110.33 | 5 | 13 | 1 | 177 | 526.65 | 10 | ↓ |