In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 5th, 2011 | 22 | Yes |
Popular Name: 1-[(1R)-2-(4-dimethylaminophenyl)-1-methyl-ethyl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea 1-[(1R)-2-(4-dimethylaminophenyl…
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) | 2.11 | 6.27 | -20.18 | 2 | 6 | 0 | 70 | 319.434 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.11 | 7.05 | -91.39 | 3 | 6 | 0 | 71 | 320.442 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.