UCSF

ZINC35884774

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 21 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) 4.78 10.33 -110.29 3 2 2 21 288.479 4
Hi High (pH 8-9.5) 4.78 8.87 -32.05 2 2 1 16 287.471 4
Hi High (pH 8-9.5) 4.78 7.91 -41.1 2 2 1 20 287.471 4

Activity (Go SEA)

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