In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 2nd, 2009 | 18 | 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) | 1.96 | 6.35 | -10.24 | 1 | 5 | 0 | 71 | 247.229 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.96 | 6.81 | -42.29 | 2 | 5 | 1 | 72 | 248.237 | 4 | ↓ |