In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2008 | 22 | Yes |
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) | 3.02 | 6.49 | -11.66 | 1 | 4 | 0 | 48 | 297.354 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.08 | 5.19 | -32.44 | 2 | 4 | 1 | 53 | 298.362 | 4 | ↓ |