UCSF

ZINC20192861

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 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) 0.85 5.47 -9.54 2 4 0 59 255.321 4
Lo Low (pH 4.5-6) 0.85 5.91 -38.85 3 4 1 60 256.329 4

Activity (Go SEA)

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