In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 9th, 2006 | 30 | 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) | 5.02 | 12.38 | -13.33 | 2 | 7 | 0 | 85 | 402.502 | 4 | ↓ |
Lo Low (pH 4.5-6) | 5.20 | 12.52 | -33.13 | 3 | 7 | 1 | 90 | 403.51 | 4 | ↓ |