UCSF

ZINC37325701

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 20 No

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) 2.05 4.33 -43.75 3 5 1 66 470.967 2
Mid Mid (pH 6-8) 2.05 3.19 -4.09 2 5 0 61 469.959 2

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

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