| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 15th, 2010 | 11 | Yes |
Popular Name: 3-Pentenoic acid, 2,5-diamino-2-(fluoromethyl)-, (-)- (9CI) 3-Pentenoic acid, 2,5-diamino-2-…
Find On: PubMed — Wikipedia — Google
CAS Number: 112295-66-6
| 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) | -3.33 | -0.4 | -66.37 | 5 | 4 | 0 | 94 | 162.164 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DCOR-3-E | Ornithine Decarboxylase (cluster #3 Of 3), Eukaryotic | Eukaryotes | 2700 | 0.71 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DCOR_RAT | P09057 | Ornithine Decarboxylase, Rat | 2700 | 0.71 | Binding ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.