In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 18th, 2009 | 29 | Yes |
Popular Name: 1-(2-morpholinoethyl)-1-(4-pyridylmethyl)-3-[3-(trifluoromethyl)phenyl]urea 1-(2-morpholinoethyl)-1-(4-pyrid…
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) | 2.55 | 7.08 | -16.55 | 1 | 6 | 0 | 58 | 408.424 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.55 | 9.35 | -52.22 | 2 | 6 | 1 | 59 | 409.432 | 7 | ↓ |
Lo Low (pH 4.5-6) | 2.55 | 9.81 | -104.57 | 3 | 6 | 2 | 60 | 410.44 | 7 | ↓ |