UCSF

ZINC32553269

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2009 11 Yes

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) 0.70 4.28 -114.64 4 2 2 32 158.289 2
Mid Mid (pH 6-8) 0.70 2.36 -36.76 3 2 1 31 157.281 2
Mid Mid (pH 6-8) 0.70 3.95 -31.51 3 2 1 30 157.281 2

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% )