UCSF

ZINC52345503

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 20 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) 2.94 8.65 -91.03 3 3 2 34 297.512 7
Hi High (pH 8-9.5) 2.94 7.28 -32.59 2 3 1 29 296.504 7
Hi High (pH 8-9.5) 2.94 4.97 -2.94 1 3 0 28 295.496 7

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

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