In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 28th, 2006 | 22 | 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) | 3.57 | 5.59 | -9.08 | 2 | 4 | 0 | 59 | 331.363 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.57 | 5.85 | -31.33 | 3 | 4 | 1 | 60 | 332.371 | 4 | ↓ |