UCSF

ZINC13382916

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 18th, 2008 29 Yes

Popular Name: 3-[[(4aR,6aR,7R,10aR,10bR)-6a,10b-dimethyl-8-methylene-1,4a,5,6,7,9,10,10a-octahydrobenzo[f]chromen- 3-[[(4aR,6aR,7R,10aR,10bR)-6a,10…

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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) 5.04 11.85 -9.43 0 4 0 49 398.543 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KCNA3-2-E Voltage-gated Potassium Channel Subunit Kv1.3 (cluster #2 Of 3), Eukaryotic Eukaryotes 3700 0.26 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
KCNA3_HUMAN P22001 Voltage-gated Potassium Channel Subunit Kv1.3, Human 3700 0.26 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Voltage gated Potassium channels

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