UCSF

ZINC12360482

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2008 15 No

Popular Name: (1Z)-3-(1H-Benzimidazol-1-yl)-N'-hydroxypropanimidamide (1Z)-3-(1H-Benzimidazol-1-yl)-N'…

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CAS Numbers: , 4404-30-2

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) 0.92 3.4 -46.68 4 5 1 76 205.241 4 ↓
Ref Reference (pH 7) 0.78 3.36 -12.16 3 5 0 76 204.233 3 ↓
Ref Reference (pH 7) 0.78 3.71 -10.5 3 5 0 76 204.233 3 ↓
Lo Low (pH 4.5-6) 0.78 3.84 -34.06 4 5 1 78 205.241 3 ↓
Lo Low (pH 4.5-6) 0.78 4.18 -35.94 4 5 1 78 205.241 3 ↓
Lo Low (pH 4.5-6) 0.92 3.88 -96.26 5 5 2 77 206.249 4 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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