In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 15th, 2011 | 13 | 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) | 0.19 | 1.9 | -36.12 | 3 | 3 | 1 | 40 | 185.291 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.19 | 3.54 | -115.73 | 4 | 3 | 2 | 41 | 186.299 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.