UCSF

ZINC06495086

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2006 29 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) 3.96 1.82 -10.43 3 6 0 100 399.487 0
Hi High (pH 8-9.5) 3.96 2.62 -46.86 2 6 -1 102 398.479 0

Activity (Go SEA)

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