In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 25th, 2009 | 30 | Yes |
Popular Name: (2S)-2-[2-[[(1R,2R)-2,3-bis(4-chlorophenyl)-1-methyl-propyl]amino]-2-oxo-ethyl]butanedioic (2S)-2-[2-[[(1R,2R)-2,3-bis(4-ch…
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) | 4.38 | 14.02 | -135.09 | 1 | 6 | -2 | 109 | 450.318 | 10 | ↓ |
Mid Mid (pH 6-8) | 4.38 | 11.61 | -66.08 | 2 | 6 | -1 | 107 | 451.326 | 10 | ↓ |
Lo Low (pH 4.5-6) | 4.38 | 12.15 | -52.43 | 2 | 6 | -1 | 107 | 451.326 | 10 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
FDFT-1-E | Squalene Synthetase (cluster #1 Of 4), Eukaryotic | Eukaryotes | 660 | 0.29 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
FDFT_HUMAN | P37268 | Squalene Synthetase, Human | 660 | 0.29 | Binding ≤ 1μM |
FDFT_HUMAN | P37268 | Squalene Synthetase, Human | 660 | 0.29 | Binding ≤ 10μM |
Description | Species |
---|---|
Activation of gene expression by SREBF (SREBP) | |
Cholesterol biosynthesis | |
PPARA activates gene expression |