UCSF

ZINC20220867

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 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) 0.84 3.35 -47.12 4 4 1 60 242.73 4
Hi High (pH 8-9.5) 0.84 0.82 -13.97 3 4 0 58 241.722 4

Vendor Notes

Note Type Comments Provided By
MP 249 - 251 Enamine Building Blocks
MP 249...251 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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