UCSF

ZINC31947258

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 23 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) 3.05 6.36 -52.27 2 5 1 49 318.441 6
Hi High (pH 8-9.5) 3.05 4.95 -7.15 1 5 0 45 317.433 6

Activity (Go SEA)

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