| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 4th, 2011 | 18 | Yes |
Popular Name: (2S)-1-(4-tert-butylcyclohexyl)-2-methyl-1,4-diazepane (2S)-1-(4-tert-butylcyclohexyl)-…
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| 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) | 3.24 | 6.88 | -27.33 | 2 | 2 | 1 | 16 | 253.454 | 2 | ↓ |
| Hi High (pH 8-9.5) | 3.24 | 5.99 | -34.47 | 2 | 2 | 1 | 20 | 253.454 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 3.24 | 8.08 | -109.18 | 3 | 2 | 2 | 21 | 254.462 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
