UCSF

ZINC19480864

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 13 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) 2.19 6.37 -47.32 2 2 1 40 175.255 3
Hi High (pH 8-9.5) 2.19 5.13 -4.82 1 2 0 36 174.247 3

Vendor Notes

Note Type Comments Provided By
MP 302 - 304 Enamine Building Blocks
MP 302...304 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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