In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 20th, 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) | -0.63 | -5.55 | -80.61 | 4 | 12 | -1 | 181 | 503.542 | 7 | ↓ |
Lo Low (pH 4.5-6) | -0.63 | -5.45 | -87.89 | 5 | 12 | 0 | 182 | 504.55 | 7 | ↓ |