UCSF

ZINC59090790

Substance Information

In ZINC since Heavy atoms Benign functionality
February 24th, 2011 16 No

Download: MOL2 SDF SMILES Flexibase

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) 2.44 3.32 -42.71 3 3 1 40 229.388 8
Lo Low (pH 4.5-6) 2.44 5.65 -118.38 4 3 2 41 230.396 8

Activity (Go SEA)

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