UCSF

ZINC25422329

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2009 23 No

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) 2.43 5.82 -52.99 3 6 1 76 336.799 7
Hi High (pH 8-9.5) 2.25 2.67 -45.96 1 6 -1 81 334.783 7
Hi High (pH 8-9.5) 2.43 3.62 -19.83 2 6 0 75 335.791 7

Activity (Go SEA)

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