In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 30th, 2011 | 27 | No |
Popular Name: N-[3-(isopropylcarbamoyl)-4-methyl-phenyl]-N'-[(1R)-1-(4-pyridyl)ethyl]oxamide N-[3-(isopropylcarbamoyl)-4-meth…
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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) | 1.13 | 4.55 | -11.67 | 3 | 7 | 0 | 100 | 368.437 | 6 | ↓ |
Lo Low (pH 4.5-6) | 1.13 | 5.01 | -44.73 | 4 | 7 | 1 | 101 | 369.445 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.