In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 8th, 2006 | 24 | Yes |
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) | 3.14 | 5.12 | -13.23 | 3 | 5 | 0 | 77 | 339.42 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.14 | 5.44 | -33.35 | 4 | 5 | 1 | 78 | 340.428 | 4 | ↓ |