UCSF

ZINC40876194

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 36 No

Popular Name: (3R,6R)-3-indan-2-yl-6-isobutyl-1-[(1S)-1-(2-methyloxazol-4-yl)-2-morpholino-2-oxo-ethyl]piperazine- (3R,6R)-3-indan-2-yl-6-isobutyl-…

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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) 1.95 7.93 -19.58 1 9 0 105 494.592 6 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
OXYR-2-E Oxytocin Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 3 0.33 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
OXYR_HUMAN P30559 Oxytocin Receptor, Human 3 0.33 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% )