In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 20th, 2008 | 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) | 2.97 | 5.84 | -5.84 | 0 | 2 | 0 | 16 | 224.307 | 1 | ↓ |
Lo Low (pH 4.5-6) | 2.97 | 6.13 | -27.01 | 1 | 2 | 1 | 17 | 225.315 | 1 | ↓ |