UCSF

ZINC36786671

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 10 Yes

Other Names:

MFCD28125096

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) 0.60 1.45 -40.45 3 2 1 31 145.27 4
Mid Mid (pH 6-8) 0.60 3.17 -109.46 4 2 2 32 146.278 4
Mid Mid (pH 6-8) 0.60 2.78 -29.52 3 2 1 30 145.27 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% )