In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 19th, 2009 | 22 | 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) | 3.40 | 8.23 | -14.13 | 0 | 4 | 0 | 48 | 293.322 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.40 | 8.25 | -27.37 | 1 | 4 | 1 | 50 | 294.33 | 4 | ↓ |