UCSF

ZINC43221324

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 31 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) 1.77 11.94 -28.31 2 6 0 94 414.461 3
Mid Mid (pH 6-8) 1.77 10.81 -49.83 1 6 -1 90 413.453 3

Activity (Go SEA)

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