UCSF

ZINC69847606

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 24 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) 0.32 2.52 -72.16 0 7 -1 99 329.332 6
Lo Low (pH 4.5-6) 0.13 5.09 -27.78 1 7 0 93 330.34 6
Lo Low (pH 4.5-6) 0.13 4.99 -26.42 1 7 0 93 330.34 6

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

No pre-computed analogs available. Try a structural similarity search.