UCSF

ZINC20120610

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) 3.55 5.62 -2.04 1 3 0 24 341.293 5
Mid Mid (pH 6-8) 3.55 6.77 -43.82 2 3 1 29 342.301 5
Lo Low (pH 4.5-6) 3.55 7.46 -34.24 2 3 1 26 342.301 5

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

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