UCSF

ZINC04170683

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2005 27 No

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Annotations

None

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) 0.54 -1.45 -55.5 2 8 1 89 375.401 5
Mid Mid (pH 6-8) 0.54 -1.73 -60.09 2 8 1 89 375.401 4
Mid Mid (pH 6-8) -0.04 -1.64 -68.44 1 8 1 86 375.401 5

Activity (Go SEA)

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