UCSF

ZINC19621327

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2008 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) 2.39 5.51 -34.55 3 4 1 47 249.382 3
Hi High (pH 8-9.5) 2.39 3.68 -6.24 2 4 0 45 248.374 3
Mid Mid (pH 6-8) 2.39 3.95 -28.45 3 4 1 47 249.382 3

Activity (Go SEA)

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