UCSF

ZINC33749605

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 35 No

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Annotations

Vendors

    None

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) -1.02 12.65 -31.03 2 8 1 88 471.585 5
Mid Mid (pH 6-8) -1.02 14.91 -85.54 3 8 2 89 472.593 5

Activity (Go SEA)

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