UCSF

ZINC41238283

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2010 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) -0.07 0.98 -24.87 1 9 0 109 394.453 6
Mid Mid (pH 6-8) -0.07 3.34 -66.06 2 9 1 110 395.461 6

Activity (Go SEA)

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