UCSF

ZINC33624619

Substance Information

In ZINC since Heavy atoms Benign functionality
July 14th, 2009 36 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) 2.42 10.58 -31.37 3 8 0 131 490.556 6
Hi High (pH 8-9.5) 2.42 8.55 -57.73 2 8 -1 127 489.548 6
Hi High (pH 8-9.5) 2.42 10.42 -51.27 2 8 -1 127 489.548 6

Activity (Go SEA)

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