| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 14th, 2014 | 35 | No |
Popular Name: Caspase-1InhibitorI Caspase-1InhibitorI
Find On: PubMed — Wikipedia — Google
CAS Number: 143313-51-3
| 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) | -1.30 | 3.16 | -131.62 | 5 | 12 | -2 | 200 | 490.513 | 12 | ↓ |
| Mid Mid (pH 6-8) | -1.15 | 3.51 | -63.98 | 5 | 12 | -1 | 194 | 491.521 | 13 | ↓ |
| Mid Mid (pH 6-8) | -1.30 | 3.32 | -70.22 | 6 | 12 | -1 | 204 | 491.521 | 12 | ↓ |
| Mid Mid (pH 6-8) | -1.15 | 4.63 | -56.37 | 6 | 12 | 0 | 198 | 492.529 | 13 | ↓ |
No pre-computed analogs available. Try a structural similarity search.