| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 4th, 2011 | 16 | Yes |
Popular Name: (3S)-3-isopropyl-1-[[(2S)-tetrahydrofuran-2-yl]methyl]-1,4-diazepane (3S)-3-isopropyl-1-[[(2S)-tetrah…
| 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) | 1.74 | 4.07 | -33.34 | 2 | 3 | 1 | 29 | 227.372 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.74 | 2.88 | -2.77 | 1 | 3 | 0 | 24 | 226.364 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.74 | 4.83 | -30.86 | 2 | 3 | 1 | 26 | 227.372 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.74 | 6.01 | -103.11 | 3 | 3 | 2 | 30 | 228.38 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
