UCSF

ZINC52860990

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 12 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) -0.88 -1.14 -40.57 3 5 1 61 168.224 2
Hi High (pH 8-9.5) -0.88 -2.48 -5.2 2 5 0 57 167.216 2
Hi High (pH 8-9.5) -0.88 -1.16 -56.27 2 5 0 60 167.216 2

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

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