UCSF

ZINC31964407

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 22 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) 2.21 4.13 -53.74 5 5 1 86 318.784 4
Hi High (pH 8-9.5) 2.21 3.74 -13.25 4 5 0 84 317.776 4

Activity (Go SEA)

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