| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 3rd, 2011 | 14 | Yes |
Popular Name: (3S)-3-methyl-1-[[(2S)-tetrahydrofuran-2-yl]methyl]-1,4-diazepane (3S)-3-methyl-1-[[(2S)-tetrahydr…
| 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) | 0.96 | 2.55 | -34.57 | 2 | 3 | 1 | 29 | 199.318 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.96 | 1.24 | -3.13 | 1 | 3 | 0 | 24 | 198.31 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 0.96 | 3.19 | -30.29 | 2 | 3 | 1 | 26 | 199.318 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 0.96 | 4.49 | -101.7 | 3 | 3 | 2 | 30 | 200.326 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
