UCSF

ZINC54907483

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 18 No

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) 0.76 4.13 -51.52 2 4 1 50 286.446 2
Hi High (pH 8-9.5) 0.76 2.72 -16.5 1 4 0 45 285.438 2
Lo Low (pH 4.5-6) 0.76 4.52 -102.38 3 4 2 51 287.454 2

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

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