UCSF

ZINC16675765

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 4th, 2008 31 No

Popular Name: 2-[benzenesulfonyl-(3-chlorophenyl)amino]-N-[1-(2-hydroxyphenyl)ethylideneamino]acetamide 2-[benzenesulfonyl-(3-chlorophen…

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) 4.53 7.13 -17.3 2 7 0 99 457.939 7 ↓
Hi High (pH 8-9.5) 4.53 7.9 -59.03 1 7 -1 102 456.931 7 ↓
Hi High (pH 8-9.5) 4.53 7.38 -48.24 1 7 -1 102 456.931 7 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
OXYR-1-E Oxytocin Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 4900 0.24 Functional ≤ 10μM
V1AR-1-E Vasopressin V1a Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 600 0.28 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
OXYR_HUMAN P30559 Oxytocin Receptor, Human 4900 0.24 Functional ≤ 10μM
V1AR_HUMAN P37288 Vasopressin V1a Receptor, Human 600 0.28 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
G alpha (q) signalling events
Vasopressin-like receptors

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

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