UCSF

ZINC20194513

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 15 Yes

Other Names:

MFCD11163699

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) 1.42 2.71 -33.87 3 3 1 37 215.361 5
Mid Mid (pH 6-8) 1.42 1.74 -32.96 3 3 1 40 215.361 5
Lo Low (pH 4.5-6) 1.42 4 -96.82 4 3 2 41 216.369 5

Vendor Notes

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

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