In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 26th, 2010 | 18 | Yes |
Popular Name: N-[(4-ethylcyclohexyl)methyl]-5-oxo-1,2-dihydro-1,2,4-triazole-3-carboxamide N-[(4-ethylcyclohexyl)methyl]-5-…
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) | 1.08 | 2.14 | -7.42 | 3 | 6 | 0 | 91 | 252.318 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.54 | -0.41 | -45.29 | 2 | 6 | -1 | 94 | 251.31 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.54 | 0.68 | -22 | 3 | 6 | 0 | 95 | 252.318 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.