UCSF

ZINC98087837

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2014 20 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) 0.72 7.29 -28.04 3 5 0 94 299.754 6
Hi High (pH 8-9.5) 0.72 6.91 -40.99 2 5 -1 92 298.746 6

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

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