UCSF

ZINC00406646

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 14 Yes

Other Names:

MFCD00466554

MFCD02668737

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) 0.03 1.26 -13.58 2 4 0 58 190.202 1
Ref Reference (pH 7) 0.03 1.25 -13.61 2 4 0 58 190.202 1
Ref Reference (pH 7) 1.21 -0.24 -13.74 3 4 0 65 190.202 1
Hi High (pH 8-9.5) 1.21 0.53 -52.21 2 4 -1 68 189.194 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% )