| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2009 | 17 | Yes |
Popular Name: (1S,2R,4S)-4-(1,1-dimethylpropyl)-2-pyrrolidin-1-yl-cyclohexanamine (1S,2R,4S)-4-(1,1-dimethylpropyl…
| 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) | 2.68 | 7.17 | -117.63 | 4 | 2 | 2 | 32 | 240.435 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.68 | 7.09 | -27.42 | 3 | 2 | 1 | 30 | 239.427 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.68 | 5.37 | -40.22 | 3 | 2 | 1 | 31 | 239.427 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
