| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 6th, 2010 | 16 | Yes |
Popular Name: (1S,3S)-1-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-3-methyl-cyclohexanamine (1S,3S)-1-(5-ethyl-2-methyl-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) | 1.59 | 4.95 | -46.44 | 3 | 4 | 1 | 58 | 223.344 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.59 | 4.77 | -6.51 | 2 | 4 | 0 | 57 | 222.336 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
