UCSF

ZINC33832405

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2009 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) 7.32 17.12 -116.02 0 4 -2 80 468.678 9
Lo Low (pH 4.5-6) 7.32 15.09 -53.38 1 4 -1 77 469.686 9

Activity (Go SEA)

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