| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 10th, 2011 | 20 | Yes |
Popular Name: (1S)-N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-3,3-dimethyl-cyclohexanamine (1S)-N-[[4-(3-methoxypropyl)-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) | 1.70 | 8.33 | -48.96 | 2 | 5 | 1 | 57 | 281.424 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.70 | 7.14 | -9.5 | 1 | 5 | 0 | 52 | 280.416 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
