UCSF

ZINC66836477

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 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) 3.64 6.13 -50.01 2 5 1 60 338.378 6
Hi High (pH 8-9.5) 3.46 5.29 -32.46 1 5 0 66 337.37 6
Hi High (pH 8-9.5) 3.64 3.96 -14.34 1 5 0 58 337.37 6

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

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