UCSF

ZINC33742253

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 34 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) 7.51 13.05 -12.1 1 5 0 64 466.562 6
Lo Low (pH 4.5-6) 7.02 12.47 -45.08 0 5 -1 63 465.554 7
Lo Low (pH 4.5-6) 7.02 13.01 -18.08 1 5 0 60 466.562 7

Activity (Go SEA)

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