UCSF

ZINC20352331

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 17 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) 1.97 5.82 -90.09 4 3 2 41 236.359 4
Hi High (pH 8-9.5) 1.97 3.54 -47.06 3 3 1 40 235.351 4

Activity (Go SEA)

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