| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 1st, 2011 | 16 | Yes |
Popular Name: (1R,2R,4S)-4-methyl-2-[(2S)-2-methylazepan-1-yl]cyclohexanamine (1R,2R,4S)-4-methyl-2-[(2S)-2-me…
| 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) | 2.36 | 6.04 | -113.26 | 4 | 2 | 2 | 32 | 226.408 | 1 | ↓ |
| Hi High (pH 8-9.5) | 2.36 | 6.44 | -26.08 | 3 | 2 | 1 | 30 | 225.4 | 1 | ↓ |
| Hi High (pH 8-9.5) | 2.36 | 4.79 | -40.25 | 3 | 2 | 1 | 31 | 225.4 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
