UCSF

ZINC42966876

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2010 12 No

Popular Name: 6-nitrooxyhexanoic 6-nitrooxyhexanoic

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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) 1.74 6.69 -43.42 0 6 -1 95 176.148 7 ↓
Lo Low (pH 4.5-6) 1.74 4.72 -7.9 1 6 0 92 177.156 7 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z102306-3-O Aorta (cluster #3 Of 6), Other Other 8300 0.59 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z102306 Z102306 Aorta 8300 0.59 Functional ≤ 10μM

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

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