UCSF

ZINC41056502

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2010 22 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) 0.85 5.8 -20.74 1 6 0 73 315.354 3
Hi High (pH 8-9.5) 0.91 4.47 -65.36 0 6 -1 80 314.346 3

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

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