UCSF

ZINC36874123

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 18 Yes

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) 1.86 5.56 -38.05 3 4 1 55 244.318 3
Hi High (pH 8-9.5) 1.86 3.57 -7.09 2 4 0 50 243.31 3
Lo Low (pH 4.5-6) 1.86 5.64 -102.77 4 4 2 56 245.326 3

Vendor Notes

Note Type Comments Provided By
MP 246 - 248 Enamine Building Blocks
MP 246...248 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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