UCSF

ZINC58517996

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 8th, 2011 35 No

Popular Name: N-[3-[(4S)-1-hydroxy-4-isopentyl-4-methyl-3-oxo-2-naphthyl]-1,1-dioxo-4H-benzo[e][1,2,4]thiadiazin-7 N-[3-[(4S)-1-hydroxy-4-isopentyl…

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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) 4.07 4.26 -111.37 1 9 -2 147 515.613 6 ↓
Lo Low (pH 4.5-6) 3.63 5.46 -52.44 2 9 -1 145 516.621 6 ↓
Lo Low (pH 4.5-6) 3.04 4.93 -23.23 2 9 0 139 517.629 6 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50643-2-O Hepatitis C Virus (cluster #2 Of 5), Other Other 38 0.30 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50643 Z50643 Hepatitis C Virus 38 0.30 Functional ≤ 10μM

Rings

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

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