UCSF

ZINC32629147

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2009 13 Yes

Other Names:

MFCD11099986

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) 1.39 4.8 -38.58 4 2 0 32 184.327 1
Mid Mid (pH 6-8) 1.39 4.59 -41.99 3 2 1 31 183.319 1
Mid Mid (pH 6-8) 1.39 4.52 -0.39 3 2 0 30 183.319 1

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% )