UCSF

ZINC37324850

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 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) 2.08 6.02 -124.91 4 4 2 51 343.265 3
Hi High (pH 8-9.5) 2.08 4.3 -52.43 3 4 1 49 342.257 3
Hi High (pH 8-9.5) 2.08 5.68 -36.98 3 4 1 49 342.257 3

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

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