| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2010 | 23 | Yes |
Popular Name: (1R,2S)-N-tert-butyl-2-(4-methyl-1,4-diazepane-1-carbonyl)cyclohexanecarboxamide (1R,2S)-N-tert-butyl-2-(4-methyl…
| 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) | 2.27 | 8.8 | -42.77 | 2 | 5 | 1 | 54 | 324.489 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.27 | 6.9 | -11.93 | 1 | 5 | 0 | 53 | 323.481 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
