| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 4th, 2011 | 17 | Yes |
Popular Name: (3S)-3-isobutyl-1-[[(2S)-tetrahydrofuran-2-yl]methyl]-1,4-diazepane (3S)-3-isobutyl-1-[[(2S)-tetrahy…
| 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 | 5.47 | -31.18 | 2 | 3 | 1 | 26 | 241.399 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.27 | 4.71 | -35.66 | 2 | 3 | 1 | 29 | 241.399 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.27 | 6.66 | -107.19 | 3 | 3 | 2 | 30 | 242.407 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
