UCSF

ZINC45658741

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 20 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) 2.07 5.99 -116.38 4 3 2 35 297.874 5
Hi High (pH 8-9.5) 2.07 3.6 -42.77 3 3 1 34 296.866 5
Hi High (pH 8-9.5) 2.07 5.59 -27.4 3 3 1 34 296.866 5
Lo Low (pH 4.5-6) 2.07 8.03 -219.24 5 3 3 37 298.882 5

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