UCSF

ZINC66156448

Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2011 14 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) -1.56 7 -28.23 1 2 1 16 185.25 2
Hi High (pH 8-9.5) -1.56 6.55 -19.53 0 2 0 18 184.242 2

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

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