In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 4th, 2010 | 21 | 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) | 3.91 | 6.42 | -7.84 | 0 | 3 | 0 | 29 | 337.798 | 5 | ↓ |
Lo Low (pH 4.5-6) | 3.91 | 7.97 | -36.83 | 1 | 3 | 1 | 30 | 338.806 | 5 | ↓ |