In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 26th, 2004 | 17 | 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) | 2.79 | 5.03 | -9.56 | 0 | 4 | 0 | 52 | 229.283 | 2 | ↓ |
Lo Low (pH 4.5-6) | 2.79 | 5.59 | -32.21 | 1 | 4 | 1 | 53 | 230.291 | 2 | ↓ |