In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 30th, 2005 | 37 | 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) | 0.58 | 5.55 | -24.95 | 3 | 14 | 0 | 181 | 557.607 | 13 | ↓ |
Lo Low (pH 4.5-6) | 0.58 | -2.91 | -35.65 | 4 | 14 | 1 | 182 | 558.615 | 13 | ↓ |