In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 29th, 2008 | 29 | Yes |
Popular Name: 1-(2,4-dimethylphenyl)-3-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl]urea 1-(2,4-dimethylphenyl)-3-[3-[4-(…
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) | 4.99 | 11.08 | -53.32 | 3 | 5 | 1 | 49 | 395.571 | 6 | ↓ |
Mid Mid (pH 6-8) | 4.99 | 8.77 | -13.48 | 2 | 5 | 0 | 48 | 394.563 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.