UCSF

ZINC49480310

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2010 18 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) 1.82 3.78 -44.91 3 4 1 57 324.145 6
Hi High (pH 8-9.5) 1.82 1.5 -11.81 2 4 0 56 323.137 6

Activity (Go SEA)

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