In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 18th, 2009 | 24 | 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) | 3.54 | 8.19 | -11.82 | 2 | 4 | 0 | 58 | 339.464 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.54 | 8.26 | -65.77 | 3 | 4 | 1 | 62 | 340.472 | 4 | ↓ |