In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 27th, 2010 | 20 | 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) | 2.79 | 6.34 | -32.81 | 2 | 4 | 1 | 35 | 279.404 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.79 | 5.17 | -5.32 | 1 | 4 | 0 | 34 | 278.396 | 7 | ↓ |