UCSF

ZINC00134519

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 11 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) 1.63 2.52 -7.88 1 3 0 46 152.197 1
Hi High (pH 8-9.5) 2.09 0.65 -47.61 0 3 -1 49 151.189 1

Vendor Notes

Note Type Comments Provided By
MP 163 - 165 Enamine Building Blocks
MP 163...165 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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