UCSF

ZINC22123489

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 16 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) 3.14 8.24 -30.94 1 3 1 31 228.356 4
Hi High (pH 8-9.5) 3.14 6.73 -4 0 3 0 30 227.348 4

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