UCSF

ZINC08830661

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2007 11 Yes

Popular Name: Clopidol Clopidol

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1208729-33-2 , 2971-90-6 , [2971-90-6]

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) 2.06 4.17 -16.61 1 2 0 33 192.045 0 ↓
Hi High (pH 8-9.5) 2.52 2.83 -36.68 0 2 -1 36 191.037 0 ↓
Mid Mid (pH 6-8) 1.59 4.04 -5.16 0 2 0 29 192.045 0 ↓
Mid Mid (pH 6-8) 1.59 4.14 -4.97 0 2 0 29 192.045 0 ↓
Lo Low (pH 4.5-6) 1.59 4.46 -35.64 1 2 1 31 193.053 0 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Target Antifection Selleck Chemicals
Therapy coccidiostat, antiplatelet SMDC Pharmakon
Warnings IRRITANT Matrix Scientific
Target Others Selleck Chemicals
Indications veterinary antiprotozoal KeyOrganics Bioactives
Indications veterinary antiprotozoal, antimalarial KeyOrganics Bioactives

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50425-12-O Plasmodium Falciparum (cluster #12 Of 22), Other Other 9730 0.64 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50425 Z50425 Plasmodium Falciparum 3370 0.70 Functional ≤ 10μM

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

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