UCSF

ZINC20571626

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2008 29 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) 5.27 7.98 -14.96 2 6 0 88 449.985 6
Hi High (pH 8-9.5) 5.34 7.13 -90.92 0 6 -2 97 447.969 6
Mid Mid (pH 6-8) 5.27 8.05 -37.18 1 6 -1 90 448.977 6

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