UCSF

ZINC26001850

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2009 23 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) 2.32 8.6 -46.3 2 4 1 37 316.469 9
Hi High (pH 8-9.5) 2.32 7.79 -8.4 1 4 0 36 315.461 9
Mid Mid (pH 6-8) 2.32 10 -35.91 2 4 1 37 316.469 9
Mid Mid (pH 6-8) 2.32 10.82 -122.42 3 4 2 38 317.477 9

Activity (Go SEA)

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