UCSF

ZINC37842892

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 No

Download: MOL2 SDF SMILES Flexibase

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) 0.79 5.89 -61.82 1 5 1 55 320.866 9
Hi High (pH 8-9.5) 0.79 3.43 -16.14 0 5 0 54 319.858 9

Activity (Go SEA)

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