UCSF

ZINC72190656

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2012 8 Yes

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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) -0.69 -0.52 -28.47 5 4 1 76 114.128 1
Hi High (pH 8-9.5) -0.69 -0.98 -7.84 4 4 0 75 113.12 1
Hi High (pH 8-9.5) -0.69 -1.01 -9.44 4 4 0 75 113.12 1

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

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