UCSF

ZINC52443494

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 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) 3.44 9.75 -89 3 3 2 34 297.512 11
Hi High (pH 8-9.5) 3.44 7.59 -35.53 2 3 1 33 296.504 11
Hi High (pH 8-9.5) 3.44 8.46 -32.61 2 3 1 29 296.504 11
Hi High (pH 8-9.5) 3.44 6.29 -2.93 1 3 0 28 295.496 11

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

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