UCSF

ZINC15922622

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2008 13 No

Popular Name: N-Hydroxy-3-nitro-benzamidine N-Hydroxy-3-nitro-benzamidine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 5023-94-9 , [5023-94-9]

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) 0.32 1.92 -41.05 4 6 1 104 182.159 3 ↓
Ref Reference (pH 7) 0.19 2.08 -12.13 3 6 0 104 181.151 2 ↓
Hi High (pH 8-9.5) 0.32 2.95 -24.47 3 6 0 106 181.151 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 182 - 184 Enamine Building Blocks
MP 182...184 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Fluorochem

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