In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 15th, 2008 | 23 | 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) | 1.21 | 2.64 | -23.02 | 4 | 10 | 0 | 138 | 424.173 | 1 | ↓ |
Lo Low (pH 4.5-6) | 1.21 | 2.54 | -51.07 | 5 | 10 | 1 | 139 | 425.181 | 1 | ↓ |
Lo Low (pH 4.5-6) | 1.21 | -0.76 | -55.06 | 5 | 10 | 1 | 139 | 425.181 | 1 | ↓ |