UCSF

ZINC39712139

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2010 32 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) 6.65 16.43 -59.12 1 4 1 38 465.042 7
Hi High (pH 8-9.5) 6.65 13.97 -12.19 0 4 0 36 464.034 7

Activity (Go SEA)

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