UCSF

ZINC35121126

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 16 Yes

Other Names:

MFCD12188540

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) 3.38 6.89 -24.47 2 3 1 39 216.308 4
Mid Mid (pH 6-8) 3.38 6.79 -10.51 1 3 0 38 215.3 4
Mid Mid (pH 6-8) 3.38 6.91 -25.61 2 3 1 39 216.308 4

Vendor Notes

Note Type Comments Provided By
MP 74 - 76 Enamine Building Blocks
MP 74...76 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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