In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 21st, 2011 | 26 | No |
Popular Name: 1-(2-methyl-1,3-benzoxazol-6-yl)-3-[1-(2-methylsulfonylethyl)-4-piperidyl]urea 1-(2-methyl-1,3-benzoxazol-6-yl)…
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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) | 1.25 | 1.27 | -63.6 | 3 | 8 | 1 | 106 | 381.478 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.25 | -0.96 | -23.79 | 2 | 8 | 0 | 105 | 380.47 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.