In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 16th, 2010 | 20 | 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) | 4.78 | 9.24 | -10.78 | 0 | 3 | 0 | 27 | 331.213 | 3 | ↓ |
Lo Low (pH 4.5-6) | 4.78 | 9.69 | -22.14 | 1 | 3 | 1 | 28 | 332.221 | 3 | ↓ |