UCSF

ZINC36160620

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 40 No

Popular Name: 2-[(2E,7S,10R,13R)-13-[(4-hydroxyphenyl)methyl]-10-isopropyl-6,9,12-trioxo-17-oxa-5,8,11,14-tetrazab 2-[(2E,7S,10R,13R)-13-[(4-hydrox…

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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) 1.38 5.06 -78.99 6 11 0 173 552.628 5 ↓
Mid Mid (pH 6-8) 1.38 3.92 -54.34 5 11 -1 169 551.62 5 ↓
Lo Low (pH 4.5-6) 1.38 3.07 -57.09 7 11 1 171 553.636 5 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MTLR-1-E Motilin Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 2553 0.20 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
MTLR_HUMAN O43193 Motilin Receptor, Human 2553 0.20 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
G alpha (q) signalling events
Peptide ligand-binding receptors

Rings

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

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