In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 30th, 2009 | 25 | 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) | 6.42 | 12.08 | -5.77 | 1 | 2 | 0 | 21 | 329.443 | 5 | ↓ |
Lo Low (pH 4.5-6) | 6.42 | 12.36 | -44.4 | 2 | 2 | 1 | 26 | 330.451 | 5 | ↓ |