UCSF

ZINC02806405

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2004 13 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) 1.62 4 -7.81 1 3 0 34 176.219 2
Lo Low (pH 4.5-6) 1.62 3.84 -26.67 2 3 1 35 177.227 2

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

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