UCSF

ZINC19941808

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 24 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) 0.98 7.35 -84.89 2 7 0 103 334.372 9
Ref Reference (pH 7) 0.98 7.34 -84.68 2 7 0 103 334.372 9
Mid Mid (pH 6-8) 0.98 6.07 -54.92 1 7 -1 99 333.364 9
Mid Mid (pH 6-8) 0.98 6.07 -52.95 1 7 -1 99 333.364 9
Lo Low (pH 4.5-6) 0.98 5.36 -62.16 3 7 1 101 335.38 9
Lo Low (pH 4.5-6) 0.98 5.36 -61.67 3 7 1 101 335.38 9

Activity (Go SEA)

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