UCSF

ZINC40053251

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2010 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) 2.61 5.85 -64.46 1 9 -1 122 480.493 10
Mid Mid (pH 6-8) 2.61 5.11 -17.36 2 9 0 119 481.501 10

Activity (Go SEA)

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