In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 30th, 2005 | 22 | 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) | 2.49 | -0.98 | -8.27 | 2 | 5 | 0 | 81 | 358.195 | 2 | ↓ |
Lo Low (pH 4.5-6) | 2.49 | -0.87 | -35.84 | 3 | 5 | 1 | 82 | 359.203 | 2 | ↓ |