UCSF

ZINC22078214

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 18 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) 1.85 4.64 -37.25 2 3 1 28 247.362 2
Hi High (pH 8-9.5) 1.85 2.38 -5.85 1 3 0 27 246.354 2

Activity (Go SEA)

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