| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 27th, 2010 | 19 | Yes |
Popular Name: (1S,2S,4R)-2-[[isopropyl(2-thienylmethyl)amino]methyl]-4-methyl-cyclohexanol (1S,2S,4R)-2-[[isopropyl(2-thien…
| 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) | 3.46 | 7.99 | -32.13 | 2 | 2 | 1 | 25 | 282.473 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.46 | 6.22 | -2.76 | 1 | 2 | 0 | 23 | 281.465 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
