UCSF

ZINC36874119

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 17 Yes

Other Names:

MFCD12105653

MFCD19686440

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) 2.07 6.35 -36.9 3 3 1 45 228.319 2
Hi High (pH 8-9.5) 2.07 4.63 -5.29 2 3 0 41 227.311 2
Hi High (pH 8-9.5) 2.07 4.64 -7.04 2 3 0 41 227.311 2
Lo Low (pH 4.5-6) 2.07 6.67 -103.2 4 3 2 47 229.327 2

Vendor Notes

Note Type Comments Provided By
MP 164 - 166 Enamine Building Blocks
MP 164...166 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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