UCSF

ZINC32629169

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2009 14 Yes

Other Names:

MFCD11099994

MFCD13806444

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) 1.90 5.1 -49.24 4 2 0 32 198.354 1
Mid Mid (pH 6-8) 1.90 5.07 -40.54 3 2 1 31 197.346 1
Mid Mid (pH 6-8) 1.90 4.86 -0.28 3 2 0 30 197.346 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% )