In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 18th, 2007 | 34 | 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) | 3.64 | -2.65 | -32.02 | 0 | 6 | 0 | 80 | 518.035 | 8 | ↓ |
Lo Low (pH 4.5-6) | 3.64 | -2.54 | -68.05 | 1 | 6 | 1 | 81 | 519.043 | 8 | ↓ |