UCSF

ZINC22220502

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 14 Yes

Other Names:

MFCD09738371

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 2.49 -43.55 3 3 1 50 193.27 3
Hi High (pH 8-9.5) 1.63 2.1 -4.62 2 3 0 48 192.262 3

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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