In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 6th, 2010 | 18 | Yes |
Popular Name: 1-[(5-ethyl-2-methyl-1,2,4-triazol-3-yl)methyl]cyclohexanecarboxylic 1-[(5-ethyl-2-methyl-1,2,4-triaz…
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) | 1.64 | 7.8 | -46.64 | 0 | 5 | -1 | 71 | 250.322 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.64 | 8.86 | -30.95 | 1 | 5 | 0 | 72 | 251.33 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.