UCSF

ZINC19420858

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 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) 2.85 4.19 -59.83 3 4 1 55 258.297 3
Hi High (pH 8-9.5) 2.85 3.92 -7.71 2 4 0 54 257.289 3

Activity (Go SEA)

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