UCSF

ZINC66252429

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 22nd, 2011 33 No

Popular Name: (3R,7aR)-5'-methyl-6-[(3,4,5-trimethoxyphenyl)methyl]spiro[1,7a-dihydroimidazo[1,5-c]thiazole-3,3'-i (3R,7aR)-5'-methyl-6-[(3,4,5-tri…

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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) 1.88 7.11 -19.04 1 9 0 97 469.519 5 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80214-1-O M14 (Melanoma Cells) (cluster #1 Of 3), Other Other 2400 0.24 Functional ≤ 10μM
Z80936-1-O HEK293 (Embryonic Kidney Fibroblasts) (cluster #1 Of 4), Other Other 2040 0.24 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80936 Z80936 HEK293 (Embryonic Kidney Fibroblasts) 2040 0.24 Functional ≤ 10μM
Z80214 Z80214 M14 (Melanoma Cells) 2400 0.24 Functional ≤ 10μM

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

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