UCSF

ZINC37109523

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 9 Yes

Other Names:

MFCD11628025

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) 0.36 0.65 -40.72 3 2 1 31 131.243 4
Mid Mid (pH 6-8) 0.36 2.58 -107.21 4 2 2 32 132.251 4
Mid Mid (pH 6-8) 0.36 2.2 -29.12 3 2 1 30 131.243 4

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% )