| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 11th, 2009 | 19 | No |
Popular Name: (1Z)-6-methyl-1-[(5-methyl-2-furyl)methylene]-4-thioxo-5H-furo[3,4-c]pyridin-3-one (1Z)-6-methyl-1-[(5-methyl-2-fur…
| 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) | 2.58 | 8.42 | -66.26 | 0 | 4 | -1 | 56 | 272.305 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.85 | 8.68 | -40.88 | 1 | 4 | 0 | 59 | 273.313 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PERF-1-E | Perforin-1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 2700 | 0.41 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PERF_HUMAN | P14222 | Perforin-1, Human | 2700 | 0.41 | Binding ≤ 10μM |
