UCSF

ZINC39755033

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 24 No

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) 3.91 7.1 -18.91 2 8 0 121 342.336 4
Hi High (pH 8-9.5) 3.43 4.08 -45.61 1 8 -1 127 341.328 4

Activity (Go SEA)

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