| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 24th, 2010 | 15 | Yes |
Popular Name: (1S,3S)-1-(4,5-dimethyl-1,2,4-triazol-3-yl)-3-methyl-cyclohexanamine (1S,3S)-1-(4,5-dimethyl-1,2,4-tr…
| 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) | 1.01 | 4.73 | -39.76 | 3 | 4 | 1 | 58 | 209.317 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.01 | 4.56 | -9.37 | 2 | 4 | 0 | 57 | 208.309 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
