In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 1st, 2009 | 24 | 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) | 3.31 | 7.47 | -8.17 | 0 | 4 | 0 | 33 | 334.504 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.31 | 9.74 | -40.57 | 1 | 4 | 1 | 34 | 335.512 | 7 | ↓ |