UCSF

ZINC52877819

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 28 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) 1.79 8.66 -50.44 4 8 1 106 388.492 9
Hi High (pH 8-9.5) 1.79 6.72 -16.15 3 8 0 104 387.484 9

Activity (Go SEA)

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