| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 21st, 2010 | 19 | Yes |
Popular Name: (1S,2R,4S)-N2-methyl-4-propyl-N2-[[(2S)-tetrahydropyran-2-yl]methyl]cyclohexane-1,2-diamine (1S,2R,4S)-N2-methyl-4-propyl-N2…
| 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) | 2.74 | 5.55 | -37.83 | 3 | 3 | 1 | 40 | 269.453 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.74 | 7.36 | -28.84 | 3 | 3 | 1 | 40 | 269.453 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
