UCSF

ZINC25560123

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 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) 1.76 4.93 -17.51 1 6 0 79 351.453 5
Hi High (pH 8-9.5) 1.83 4.02 -48.22 0 6 -1 86 350.445 5

Activity (Go SEA)

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