UCSF

ZINC00602001

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 29 Yes

Popular Name: (3S,4R)-4-[4-chloro-N-(1H-imidazol-2-ylmethyl)anilino]-3-hydroxy-2,2-dimethyl-chroman-6-carbonitrile (3S,4R)-4-[4-chloro-N-(1H-imidaz…

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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) 3.56 -0.33 -11.7 2 6 0 85 408.889 4 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z100264-1-O F1F0-ATPase (cluster #1 Of 1), Other Other 240 0.32 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z100264 Z100264 F1F0-ATPase 240 0.32 Binding ≤ 1μM
Z100264 Z100264 F1F0-ATPase 240 0.32 Binding ≤ 10μM

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