In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 9th, 2008 | 15 | 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) | 2.16 | 3.29 | -6.69 | 2 | 3 | 0 | 45 | 271.158 | 2 | ↓ |
Lo Low (pH 4.5-6) | 2.16 | 3.75 | -34.06 | 3 | 3 | 1 | 46 | 272.166 | 2 | ↓ |