UCSF

ZINC12536994

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2008 17 Yes

Other Names:

MFCD09971626

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) 3.16 5.21 -47.38 0 3 -1 53 260.216 2
Lo Low (pH 4.5-6) 3.16 5.48 -50.46 1 3 0 54 261.224 2

Vendor Notes

Note Type Comments Provided By
MP 265 - 267 Enamine Building Blocks
MP 265...267 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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