UCSF

ZINC12505748

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 15 Yes

Other Names:

MFCD09403772

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) 0.68 5.37 -53.81 3 3 1 45 202.281 4
Mid Mid (pH 6-8) 0.68 5.84 -109.4 4 3 2 47 203.289 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% )