UCSF

ZINC52926293

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2010 19 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) 2.69 5.79 -50.12 3 5 1 83 265.333 4
Hi High (pH 8-9.5) 2.69 4.59 -7.85 2 5 0 78 264.325 4

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

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