UCSF

ZINC54742041

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2010 18 Yes

Download: MOL2 SDF SMILES Flexibase

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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) 1.94 3.86 -36.32 2 4 1 44 270.736 1
Mid Mid (pH 6-8) 1.94 2.99 -4.8 1 4 0 40 269.728 1

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

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