In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 11th, 2011 | 18 | 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) | 4.17 | 10.59 | -9.96 | 0 | 2 | 0 | 17 | 236.318 | 1 | ↓ |
Mid Mid (pH 6-8) | 4.17 | 10.95 | -25.69 | 1 | 2 | 1 | 19 | 237.326 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.