UCSF

ZINC38233823

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2010 9 Yes

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Vendors

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) 0.82 2.57 -44.25 0 2 -1 40 125.147 0
Mid Mid (pH 6-8) 0.82 2.53 -44.44 0 2 -1 40 125.147 0
Mid Mid (pH 6-8) 0.82 1.81 -8.78 1 2 0 37 126.155 0
Mid Mid (pH 6-8) 0.82 1.77 -9.17 1 2 0 37 126.155 0
Mid Mid (pH 6-8) 0.07 3.71 -9.57 0 2 0 34 126.155 0

Activity (Go SEA)

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