In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 35 | No |
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) | 4.56 | 9.32 | -12.78 | 0 | 7 | 0 | 70 | 493.581 | 7 | ↓ |
Mid Mid (pH 6-8) | 4.56 | 12.18 | -57.96 | 1 | 7 | 1 | 72 | 494.589 | 7 | ↓ |