UCSF

ZINC20475271

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 19 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) 3.21 6.44 -48.55 3 2 1 31 340.31 5
Hi High (pH 8-9.5) 3.21 5.57 -2.9 2 2 0 29 339.302 5

Activity (Go SEA)

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