UCSF

ZINC37180145

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 18 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) 2.75 8.07 -121.98 4 2 2 32 248.414 5
Hi High (pH 8-9.5) 2.75 7.68 -29.69 3 2 1 30 247.406 5
Hi High (pH 8-9.5) 2.75 6.22 -45.43 3 2 1 31 247.406 5

Activity (Go SEA)

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