In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 27th, 2010 | 30 | Yes |
Popular Name: 1-(4-butoxyphenyl)-3-[3-(4-phenylpiperazin-1-yl)propyl]urea 1-(4-butoxyphenyl)-3-[3-(4-pheny…
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) | 4.83 | 10.63 | -51.46 | 3 | 6 | 1 | 58 | 411.57 | 10 | ↓ |
Mid Mid (pH 6-8) | 4.83 | 8.41 | -11.45 | 2 | 6 | 0 | 57 | 410.562 | 10 | ↓ |
No pre-computed analogs available. Try a structural similarity search.