UCSF

ZINC49480564

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2010 19 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) 4.89 6.4 -6.63 1 3 0 32 344.069 5
Hi High (pH 8-9.5) 4.71 7.68 -26.75 1 3 0 40 344.069 5

Activity (Go SEA)

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