UCSF

ZINC52045245

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2010 16 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) -1.71 9.03 -25.34 3 3 1 41 218.324 2
Mid Mid (pH 6-8) 2.51 8.67 -5.77 2 3 0 42 217.316 2

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

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