UCSF

ZINC22699719

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 24 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) -0.11 1.93 -19.93 2 8 0 97 331.328 1
Hi High (pH 8-9.5) 0.07 0.14 -48 1 8 -1 103 330.32 1

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

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