UCSF

ZINC55386518

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2010 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) 2.86 4 -11.69 3 7 0 100 324.34 2
Lo Low (pH 4.5-6) 2.86 4.44 -36.54 4 7 1 101 325.348 2

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

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