UCSF

ZINC39884086

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 35 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) 1.25 7.85 -22.82 2 10 0 132 516.601 4
Mid Mid (pH 6-8) 1.01 6.45 -56.54 1 10 -1 136 515.593 5
Mid Mid (pH 6-8) 1.01 6.02 -53.11 1 10 -1 136 515.593 5
Mid Mid (pH 6-8) 1.01 6.1 -53.16 1 10 -1 136 515.593 5
Mid Mid (pH 6-8) 1.01 6.15 -68.62 1 10 -1 136 515.593 5
Mid Mid (pH 6-8) 1.01 6.23 -68.63 1 10 -1 136 515.593 5
Mid Mid (pH 6-8) 1.01 6.53 -56.45 1 10 -1 136 515.593 5
Mid Mid (pH 6-8) 1.01 6.6 -56.37 1 10 -1 136 515.593 5
Mid Mid (pH 6-8) 1.01 6.36 -56.65 1 10 -1 136 515.593 5

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