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) | 2.54 | 4.46 | -11.32 | 0 | 8 | 0 | 74 | 452.507 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.54 | 6.73 | -53.07 | 1 | 8 | 1 | 75 | 453.515 | 6 | ↓ |