In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 31 | Yes |
None
None
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) | 6.36 | 12.6 | -10.81 | 0 | 4 | 0 | 43 | 431.919 | 3 | ↓ |
Lo Low (pH 4.5-6) | 6.36 | 15.06 | -41.79 | 1 | 4 | 1 | 44 | 432.927 | 3 | ↓ |