| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 17 | No |
Popular Name: (3S)-3-(1,4-diazepan-1-yl)-1,1-dioxo-thiolane-3-carboxylic (3S)-3-(1,4-diazepan-1-yl)-1,1-d…
| 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) | -3.23 | -0.06 | -61.99 | 2 | 6 | 0 | 94 | 262.331 | 2 | ↓ |
| Hi High (pH 8-9.5) | -3.23 | -1.46 | -42.43 | 1 | 6 | -1 | 90 | 261.323 | 2 | ↓ |
| Hi High (pH 8-9.5) | -3.23 | 0.41 | -33.32 | 2 | 6 | 0 | 91 | 262.331 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
