UCSF

ZINC49771959

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2010 29 No

Popular Name: (4S,8E)-4-(4-methoxyphenyl)-8-[(4-methoxyphenyl)methylene]-6-methyl-3,4,5,7-tetrahydropyrido[4,3-d]p (4S,8E)-4-(4-methoxyphenyl)-8-[(…

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Download: MOL2 SDF SMILES Flexibase

Physical Representations

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) 4.59 8.44 -15.06 2 5 0 46 407.539 4 ↓
Lo Low (pH 4.5-6) 4.59 8.05 -15.91 1 5 0 48 407.539 4 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80295-7-O MT4 (Lymphocytes) (cluster #7 Of 8), Other Other 6800 0.25 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80295 Z80295 MT4 (Lymphocytes) 6800 0.25 Functional ≤ 10μM

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.