UCSF

ZINC31997375

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 17 Yes

Other Names:

MFCD11932631

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) 2.48 5.81 -52.73 0 4 -1 62 228.227 3
Lo Low (pH 4.5-6) 2.48 5.91 -58.89 1 4 0 63 229.235 3

Vendor Notes

Note Type Comments Provided By
MP 226 - 228 Enamine Building Blocks
MP 226...228 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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Analogs ( Draw Identity 99% 90% 80% 70% )