UCSF

ZINC36154539

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 22 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.15 4.49 -20.6 2 6 0 84 319.386 8
Hi High (pH 8-9.5) 2.15 5.07 -11.38 2 6 0 84 319.386 8
Hi High (pH 8-9.5) 2.60 4.05 -45.81 2 6 0 92 319.386 8
Lo Low (pH 4.5-6) 2.15 5.92 -64.1 3 6 1 89 320.394 8

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