UCSF

ZINC43017124

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2010 34 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) 5.73 16.25 -45.73 0 4 -1 66 467.67 7
Lo Low (pH 4.5-6) 5.73 14.27 -10.12 1 4 0 64 468.678 7

Activity (Go SEA)

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