UCSF

ZINC43018924

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2010 22 Yes

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) 4.28 9.46 -8.37 0 3 0 31 293.366 7
Lo Low (pH 4.5-6) 4.28 9.93 -35.92 1 3 1 33 294.374 7

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KCNA3-3-E Voltage-gated Potassium Channel Subunit Kv1.3 (cluster #3 Of 3), Eukaryotic Eukaryotes 520 0.40 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 520 0.40 Binding ≤ 1μM
KCNA3_HUMAN P22001 Voltage-gated Potassium Channel Subunit Kv1.3, Human 520 0.40 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Voltage gated Potassium channels

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