| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 27th, 2010 | 19 | Yes |
Popular Name: (2S,4R)-2-[(4-methyl-1,4-diazepan-1-yl)methyl]-4-propyl-cyclohexanone (2S,4R)-2-[(4-methyl-1,4-diazepa…
| 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) | 2.71 | 8.59 | -35.82 | 1 | 3 | 1 | 25 | 267.437 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.71 | 7.05 | -4.72 | 0 | 3 | 0 | 24 | 266.429 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.71 | 10.36 | -112.73 | 2 | 3 | 2 | 26 | 268.445 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
