UCSF

ZINC36123841

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 31 No

Popular Name: (2R)-1-(2,4-dichlorophenoxy)-3-[2-imino-3-[2-(1-piperidyl)ethyl]benzimidazol-1-yl]propan-2-ol (2R)-1-(2,4-dichlorophenoxy)-3-[…

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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) 0.89 13.74 -105.56 4 6 2 69 465.425 8 ↓
Hi High (pH 8-9.5) 0.89 11.53 -36.33 3 6 1 68 464.417 8 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FA8-1-E Coagulation Factor VIII (cluster #1 Of 1), Eukaryotic Eukaryotes 7800 0.23 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FA8_HUMAN P00451 Coagulation Factor VIII, Human 7800 0.23 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Intrinsic Pathway
Platelet degranulation

Rings

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