UCSF

ZINC25877112

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2009 10 Yes

Other Names:

MFCD11857793

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) 0.23 0.86 -45.15 3 2 1 31 141.238 0
Lo Low (pH 4.5-6) 0.23 3.03 -105.99 4 2 2 32 142.246 0

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% )