UCSF

ZINC35752524

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2009 27 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) 2.44 9.62 -49.55 3 5 1 62 366.485 10
Hi High (pH 8-9.5) 2.44 8.27 -15.56 2 5 0 57 365.477 10

Activity (Go SEA)

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