UCSF

ZINC32239909

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 16 Yes

Other Names:

MFCD00183618

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) 1.99 7.93 -31.72 1 3 1 31 220.292 4
Mid Mid (pH 6-8) 1.99 5.88 -6.3 0 3 0 30 219.284 4

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% )

No pre-computed analogs available. Try a structural similarity search.