UCSF

ZINC43773420

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2010 46 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) 5.43 14.56 -54.75 2 11 1 119 635.734 11
Hi High (pH 8-9.5) 5.43 12.46 -20.73 1 11 0 118 634.726 11

Activity (Go SEA)

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