UCSF

ZINC18168160

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2008 23 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) 0.31 5.79 -11.62 2 5 0 82 307.281 0
Hi High (pH 8-9.5) 0.31 6.56 -29.66 1 5 0 85 306.273 0
Hi High (pH 8-9.5) 0.31 6.81 -30.51 1 5 0 85 306.273 0

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

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