UCSF

ZINC21528267

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 31 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) 0.51 4.94 -16.82 1 8 0 82 428.533 7
Mid Mid (pH 6-8) 0.51 7.27 -54.39 2 8 1 83 429.541 7

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

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