UCSF

ZINC26707372

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2009 24 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) 2.68 10.05 -15.6 0 6 0 54 347.488 4
Lo Low (pH 4.5-6) 2.68 10.5 -32.08 1 6 1 55 348.496 4

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

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