UCSF

ZINC37839139

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) 1.97 8.16 -15.69 0 4 0 47 314.179 6
Hi High (pH 8-9.5) 2.72 7.03 -49.77 0 4 -1 53 313.171 5

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Rings

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