UCSF

ZINC59415220

Substance Information

In ZINC since Heavy atoms Benign functionality
March 4th, 2011 35 No

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Annotations

Vendors

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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) 3.67 13.14 -46.97 3 7 1 98 481.661 7
Mid Mid (pH 6-8) 3.67 12.65 -21.84 2 7 0 96 480.653 7

Activity (Go SEA)

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