UCSF

ZINC20120623

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 20 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) 3.37 5.58 -2.72 1 3 0 24 296.842 5
Mid Mid (pH 6-8) 3.37 6.62 -38.81 2 3 1 29 297.85 5
Lo Low (pH 4.5-6) 3.37 7.42 -36.36 2 3 1 26 297.85 5

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

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