In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2010 | 21 | 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) | 3.73 | 8.58 | -29.22 | 2 | 3 | 1 | 26 | 293.475 | 9 | ↓ |
Mid Mid (pH 6-8) | 3.73 | 8.45 | -105.1 | 3 | 3 | 2 | 30 | 294.483 | 9 | ↓ |