UCSF

ZINC42446257

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 16 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) 2.84 6.22 -101.02 5 3 2 56 227.396 6
Hi High (pH 8-9.5) 2.84 4.68 -31.39 4 3 1 55 226.388 6

Activity (Go SEA)

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