In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 11th, 2008 | 15 | 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) | 2.52 | 5.18 | -45.75 | 1 | 4 | -1 | 65 | 227.671 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.52 | 5.54 | -42.81 | 2 | 4 | 0 | 66 | 228.679 | 5 | ↓ |