UCSF

ZINC71540302

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) -1.67 4.83 -48.22 2 8 -1 120 289.271 5
Hi High (pH 8-9.5) -1.21 2.91 -111.82 1 8 -2 123 288.263 5

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

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