| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 28th, 2010 | 35 | No |
Popular Name: 1'H-Oleana-12-eno[3,2-c]pyrazol-28-oic acid 1'H-Oleana-12-eno[3,2-c]pyrazol-…
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CAS Number: 1135341-46-6
| 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) | 7.17 | 13.92 | -54.4 | 1 | 4 | -1 | 69 | 477.713 | 1 | ↓ |
| Mid Mid (pH 6-8) | 7.17 | 14.08 | -75.61 | 2 | 4 | 0 | 70 | 478.721 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PTN1-1-E | Protein-tyrosine Phosphatase 1B (cluster #1 Of 4), Eukaryotic | Eukaryotes | 1650 | 0.23 | Binding ≤ 10μM |
| PTN2-2-E | T-cell Protein-tyrosine Phosphatase (cluster #2 Of 3), Eukaryotic | Eukaryotes | 5990 | 0.21 | Binding ≤ 10μM |
| PYGM-1-E | Muscle Glycogen Phosphorylase (cluster #1 Of 4), Eukaryotic | Eukaryotes | 7800 | 0.20 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PYGM_RABIT | P00489 | Glycogen Phosphorylase, Muscle Form, Rabit | 7800 | 0.20 | Binding ≤ 10μM |
| PTN1_HUMAN | P18031 | Protein-tyrosine Phosphatase 1B, Human | 1650 | 0.23 | Binding ≤ 10μM |
| PTN2_HUMAN | P17706 | T-cell Protein-tyrosine Phosphatase, Human | 5990 | 0.21 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Growth hormone receptor signaling | |
| Integrin alphaIIb beta3 signaling | |
| Regulation of IFNA signaling | |
| Regulation of IFNG signaling |
No pre-computed analogs available. Try a structural similarity search.