UCSF

ZINC36983617

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 16 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) 0.58 1.12 -9.27 1 4 0 49 260.384 2
Mid Mid (pH 6-8) 0.58 2.26 -53.6 2 4 1 54 261.392 2

Vendor Notes

Note Type Comments Provided By
MP 224 - 226 Enamine Building Blocks
MP 224...226 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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