In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 7th, 2010 | 31 | No |
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) | 1.19 | 4.59 | -19.15 | 3 | 9 | 0 | 122 | 462.601 | 8 | ↓ |
Lo Low (pH 4.5-6) | 1.19 | 5.73 | -40.78 | 4 | 9 | 1 | 123 | 463.609 | 8 | ↓ |