In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 36 | 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) | 5.44 | 12.45 | -18.74 | 0 | 7 | 0 | 82 | 501.56 | 6 | ↓ |
Mid Mid (pH 6-8) | 5.44 | 15.27 | -54.26 | 1 | 7 | 1 | 83 | 502.568 | 6 | ↓ |