UCSF

ZINC49878261

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2010 40 No

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) 5.79 9.58 -17.13 3 8 0 130 560.728 13

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TRPV4-1-E Transient Receptor Potential Cation Channel Subfamily V Member 4 (cluster #1 Of 1), Eukaryotic Eukaryotes 70 0.25 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
TRPV4_MOUSE Q9EPK8 Transient Receptor Potential Cation Channel Subfamily V Member 4, Mouse 70 0.25 Binding ≤ 1μM
TRPV4_MOUSE Q9EPK8 Transient Receptor Potential Cation Channel Subfamily V Member 4, Mouse 70 0.25 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
TRP channels

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