UCSF

ZINC39750733

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2010 35 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) 4.96 7.95 -26.35 2 10 0 143 489.875 7
Hi High (pH 8-9.5) 5.03 5.28 -60.56 1 10 -1 149 488.867 7

Activity (Go SEA)

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