UCSF

ZINC39260792

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 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) 4.59 14.31 -50.23 2 5 1 42 433.62 8
Hi High (pH 8-9.5) 4.59 12.08 -12.96 1 5 0 41 432.612 8

Activity (Go SEA)

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