UCSF

ZINC38159379

Substance Information

In ZINC since Heavy atoms Benign functionality
January 5th, 2010 25 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) 7.33 16.58 -133.18 0 4 -2 80 350.499 16
Lo Low (pH 4.5-6) 7.33 14.45 -49.2 1 4 -1 77 351.507 16
Lo Low (pH 4.5-6) 7.33 14.6 -55.61 1 4 -1 77 351.507 16

Activity (Go SEA)

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