UCSF

ZINC22756285

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 25 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) 2.26 5.35 -41.65 0 9 -1 125 360.375 4
Mid Mid (pH 6-8) 2.26 5.27 -21.78 1 9 0 123 361.383 4

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

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