UCSF

ZINC01529664

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 14 No

Popular Name: 4-Nitroquinoline N-oxide 4-Nitroquinoline N-oxide

Find On: PubMed — Wikipedia — Google

CAS Numbers: 56-57-5 , [56-57-5]

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) 0.72 5.83 -14.24 0 5 0 71 190.158 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 144 - 146 Enamine Building Blocks
MP 144...146 Enamine Building Blocks
MP 154 - 156 Enamine Building Blocks
Melting_Point 154-156? Alfa-Aesar
Melting_Point 154-156° Alfa-Aesar
MP 156 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
UniProt Database Links FCR3_CANAX; SNQ2_YEAST; YAP3_YEAST ChEBI
H phrase H312: Harmful in contact with skin Acros Organics
H phrase H350: May cause cancer Acros Organics
P phrase P201: Obtain special instructions before use; P281: Use personal protective equipment as required; P202: Do not handle until all safety precautions have been read and understood; P308 + P313: IF exposed or concerned: Get medical advice/attention Acros Organics
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection Acros Organics
R phrase R20/21/22: Harmful by inhalation, in contact with skin and if swallowed. Acros Organics
R phrase R45: May cause cancer. Acros Organics
S phrase S22: Do not breathe dust. Acros Organics
Hazard T: Toxic Acros Organics
Hazard XN: Harmful Acros Organics

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80089-1-O CHO-AA8 (cluster #1 Of 2), Other Other 0 0.00 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80089 Z80089 CHO-AA8 0.33 0.95 Functional ≤ 10μM

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