In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 12th, 2011 | 18 | 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) | 2.75 | 4.68 | -9.23 | 1 | 2 | 0 | 33 | 253.223 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.75 | 5.03 | -33.9 | 2 | 2 | 1 | 34 | 254.231 | 3 | ↓ |