UCSF

ZINC06547666

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2006 13 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) -1.61 1.86 -34.13 3 4 0 81 180.207 3
Lo Low (pH 4.5-6) -1.61 2.16 -80.89 4 4 1 82 181.215 3

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% )