UCSF

ZINC37839127

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 18 No

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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) 0.86 7.79 -15.63 0 4 0 47 249.31 7
Hi High (pH 8-9.5) 1.61 6.69 -52.19 0 4 -1 53 248.302 6

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Rings

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