UCSF

ZINC38575715

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 22 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) 1.70 7.15 -12.11 1 4 0 59 294.354 5
Lo Low (pH 4.5-6) 1.70 7.55 -38.67 2 4 1 60 295.362 5

Activity (Go SEA)

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