UCSF

ZINC52504226

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 19 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) 2.60 7.62 -85.92 3 3 2 34 283.485 7
Hi High (pH 8-9.5) 2.60 5.97 -34.48 2 3 1 33 282.477 7
Hi High (pH 8-9.5) 2.60 4.67 -3.32 1 3 0 28 281.469 7
Hi High (pH 8-9.5) 2.60 6.32 -30.68 2 3 1 29 282.477 7

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

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