| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 10th, 2011 | 19 | Yes |
Popular Name: (1S,2R,4S)-2-[[cyclobutylmethyl(methyl)amino]methyl]-4-methyl-N-propyl-cyclohexanamine (1S,2R,4S)-2-[[cyclobutylmethyl(…
| 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) | 3.83 | 10.74 | -110.45 | 3 | 2 | 2 | 21 | 268.489 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.83 | 9.79 | -32.52 | 2 | 2 | 1 | 16 | 267.481 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.83 | 8.67 | -36.44 | 2 | 2 | 1 | 20 | 267.481 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
