UCSF

ZINC00067169

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 25 Yes

Popular Name: 7-[(R)-(2-hydroxyphenyl)-(thiazol-2-ylamino)methyl]quinolin-8-ol 7-[(R)-(2-hydroxyphenyl)-(thiazo…

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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) 3.66 5.8 -13.43 3 5 0 78 349.415 4 ↓
Hi High (pH 8-9.5) 3.66 4.95 -54.91 2 5 -1 81 348.407 4 ↓
Lo Low (pH 4.5-6) 3.66 4.56 -34.7 4 5 1 80 350.423 4 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50641-2-O West Nile Virus (cluster #2 Of 2), Other Other 1400 0.33 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50641 Z50641 West Nile Virus 1400 0.33 Functional ≤ 10μM

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

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