In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 30 | 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) | 6.09 | 9.67 | -5.6 | 0 | 4 | 0 | 43 | 437.845 | 4 | ↓ |
Mid Mid (pH 6-8) | 6.09 | 12.18 | -45.44 | 1 | 4 | 1 | 44 | 438.853 | 4 | ↓ |