UCSF

ZINC55026696

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 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) -0.25 5.71 -27.4 2 4 0 57 264.369 2
Mid Mid (pH 6-8) -0.25 5.67 -52.81 2 4 0 60 264.369 2
Lo Low (pH 4.5-6) -0.25 7.04 -82.25 3 4 1 61 265.377 2

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

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