In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 17 | Yes |
Popular Name: [(1S,2R,4R)-2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-ethyl-cyclohexyl]methanamine [(1S,2R,4R)-2-(3,5-dimethyl-1,2,…
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) | 0.90 | 6.29 | -49.17 | 3 | 4 | 1 | 58 | 237.371 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.