UCSF

ZINC29551325

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2009 32 Yes

Popular Name: (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,1R,4S)-5-hydroxy-4-(hydroxymethyl)-1,5-dimethyl-hex-2-enyl] (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7a…

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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) 3.80 5.1 -12.04 4 4 0 81 444.656 6 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80437-1-O RWLeu4 (cluster #1 Of 1), Other Other 96 0.31 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80437 Z80437 RWLeu4 96 0.31 Functional ≤ 10μM

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