UCSF

ZINC40236755

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2010 19 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) 3.66 7.01 -45.31 2 3 1 35 341.25 3
Mid Mid (pH 6-8) 3.66 5.83 -6.13 1 3 0 30 340.242 3

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

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