UCSF

ZINC03893798

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2005 27 No

Popular Name: N-[4-(1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-8-yl)phenyl]-2-nitro-benzamide N-[4-(1,7-diazabicyclo[4.3.0]non…

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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) 3.77 1.3 -24.11 1 7 0 92 358.357 4 ↓
Mid Mid (pH 6-8) 3.77 1.54 -41.62 1 7 1 92 358.357 4 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
O69002-1-B Heme Oxygenase (cluster #1 Of 1), Bacterial Bacteria 6100 0.27 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
O69002_PSEAI O69002 Heme Oxygenase, Pseai 6100 0.27 Binding ≤ 10μM

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

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