| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 9th, 2011 | 31 | No |
Popular Name: 4-[(3R)-3-(4-fluorophenyl)-5-(2-oxo-3H-1,3-benzoxazol-6-yl)-3,4-dihydropyrazol-2-yl]benzoic 4-[(3R)-3-(4-fluorophenyl)-5-(2-…
None
| 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) | 4.55 | 10.64 | -65.59 | 1 | 7 | -1 | 102 | 416.388 | 4 | ↓ |
| Hi High (pH 8-9.5) | 5.01 | 8 | -107.72 | 0 | 7 | -2 | 105 | 415.38 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MCR-1-E | Mineralocorticoid Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 784 | 0.28 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MCR_HUMAN | P08235 | Mineralocorticoid Receptor, Human | 784 | 0.28 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.
