In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 26th, 2011 | 23 | Yes |
Popular Name: 1-[3-(methoxymethyl)phenyl]-3-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea 1-[3-(methoxymethyl)phenyl]-3-[(…
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) | 2.45 | 3.03 | -12.42 | 2 | 5 | 0 | 54 | 331.338 | 6 | ↓ |
Lo Low (pH 4.5-6) | 2.45 | 5.46 | -51.12 | 3 | 5 | 1 | 55 | 332.346 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.