UCSF

ZINC00901466

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2004 8 No

Popular Name: N-phenylhydroxylamine N-phenylhydroxylamine

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CAS Numbers: 100-65-2 , 84447-15-4

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) 1.48 1.22 -7.99 2 2 0 32 109.128 1 ↓

Vendor Notes

Note Type Comments Provided By
UniProt Database Links 3HAPM_CUPPJ; HABA_PSEPS; HABB_PSEPS; NHOA_ECOLI; NHOA_SALTY; ST1C1_RAT ChEBI
Purity 95% Fluorochem
PUBCHEM_PATENT_ID EP0579424A1; EP0579424B1; EP0663396A1; EP0696588A1; EP0733622A1; US5300477; US5453414; US5629264; US5723414; US5726124 IBM Patent Data

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PPR-2-V Human Herpesvirus 2 Protease (cluster #2 Of 2), Viral Viruses 9000 0.88 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PPR_HCMVA P16753 Human Herpes Virus 5 Capsid Protein P40, Hcmva 9000 0.88 Binding ≤ 10μM

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