UCSF

ZINC39712824

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2010 33 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) 7.44 15.87 -54.23 1 5 1 47 489.105 12
Hi High (pH 8-9.5) 7.44 13.95 -10.33 0 5 0 46 488.097 12

Activity (Go SEA)

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