UCSF

ZINC12504600

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 11 No

Popular Name: 2-Chloro-N-hydroxy-benzamidine 2-Chloro-N-hydroxy-benzamidine

Find On: PubMed — Wikipedia — Google

CAS Numbers: , 29568-74-9 , 29568-74-9, 56935-60-5 , 56935-60-5 , N/A

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) 0.88 2.08 -7.52 3 3 0 59 170.599 1 ↓
Ref Reference (pH 7) 0.88 1.39 -6.15 3 3 0 59 170.599 1 ↓
Ref Reference (pH 7) 1.01 1.46 -27.91 4 3 1 58 171.607 2 ↓
Mid Mid (pH 6-8) 1.01 2.46 -18.18 3 3 0 61 170.599 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 87 - 91 Enamine Building Blocks
MP 88 - 90 Enamine Building Blocks
MP 88...90 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Fluorochem
Warnings IRRITANT Matrix Scientific

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

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