UCSF

ZINC78525579

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2012 20 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) 3.56 6.46 -4.32 1 2 0 23 289.806 5
Mid Mid (pH 6-8) 3.56 8.78 -41.15 2 2 1 25 290.814 5

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

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