UCSF

ZINC35068027

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 15 Yes

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) -0.62 0.42 -50.12 5 4 1 77 209.269 4
Hi High (pH 8-9.5) -0.62 1 -45.6 4 4 0 80 208.261 4
Hi High (pH 8-9.5) -0.62 0.03 -7.57 4 4 0 75 208.261 4

Activity (Go SEA)

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