UCSF

ZINC00335385

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2004 18 No

Popular Name: 4-(3-Nitro-pyrazol-1-ylmethyl)-benzoic acid 4-(3-Nitro-pyrazol-1-ylmethyl)-b…

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CAS Number: 879465-94-8

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) 1.98 7.46 -64.38 0 7 -1 104 246.202 4 ↓

Vendor Notes

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

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