UCSF

ZINC55369005

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2010 22 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) 0.59 4.94 -9.89 0 6 0 56 303.41 8
Mid Mid (pH 6-8) 0.59 6.74 -47.37 1 6 1 57 304.418 8

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

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