| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 14th, 2011 | 20 | No |
Popular Name: [(3S)-1,1-dioxothiolan-3-yl]-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)methanone [(3S)-1,1-dioxothiolan-3-yl]-(2,…
| 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) | 0.64 | 3.22 | -64.1 | 2 | 5 | 1 | 71 | 295.384 | 1 | ↓ |
| Hi High (pH 8-9.5) | 0.64 | 1.94 | -17.02 | 1 | 5 | 0 | 66 | 294.376 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
