In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 33 | 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) | 2.94 | 6.82 | -12.25 | 0 | 7 | 0 | 60 | 445.519 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.94 | 9.09 | -54.47 | 1 | 7 | 1 | 61 | 446.527 | 4 | ↓ |