UCSF

ZINC36754509

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 19 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) -1.79 0.9 -51.14 3 6 1 71 269.369 2
Lo Low (pH 4.5-6) -1.79 3.14 -116.25 4 6 2 73 270.377 2

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

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