In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 16th, 2010 | 26 | 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) | -1.45 | 7.73 | -100.75 | 3 | 8 | 0 | 119 | 360.345 | 5 | ↓ |
Mid Mid (pH 6-8) | -1.45 | 7.27 | -77.6 | 2 | 8 | -1 | 118 | 359.337 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.