| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2011 | 14 | Yes |
Popular Name: 1-[(2S,4S)-2-methyltetrahydropyran-4-yl]-1,4-diazepane 1-[(2S,4S)-2-methyltetrahydropyr…
| 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) | 0.65 | 2.09 | -37.7 | 2 | 3 | 1 | 29 | 199.318 | 1 | ↓ |
| Hi High (pH 8-9.5) | 0.65 | 0.85 | -2.2 | 1 | 3 | 0 | 24 | 198.31 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 0.65 | 4.31 | -112.83 | 3 | 3 | 2 | 30 | 200.326 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 0.65 | 3.06 | -31.03 | 2 | 3 | 1 | 26 | 199.318 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
