UCSF

ZINC38601789

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 21 No

Popular Name: 4-nitro-2-(5-phenyltriazol-1-yl)phenol 4-nitro-2-(5-phenyltriazol-1-yl)…

Find On: PubMed — Wikipedia — Google

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) 2.89 5.55 -12.79 1 7 0 97 282.259 3 ↓
Mid Mid (pH 6-8) 2.89 6.32 -41.54 0 7 -1 100 281.251 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KCMA1-1-E Calcium-activated Potassium Channel Subunit Alpha-1 (cluster #1 Of 1), Eukaryotic Eukaryotes 2630 0.37 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
KCMA1_HUMAN Q12791 Large Conductance Calcium-activated Potassium Channel Subfamily M Alpha Member 1 Isoform B, Human 2630.26799 0.37 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Ca2+ activated K+ channels
cGMP effects

Rings

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

No pre-computed analogs available. Try a structural similarity search.