UCSF

ZINC43476783

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 20 Yes

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) 3.54 7.75 -104.59 4 3 2 41 300.874 9
Hi High (pH 8-9.5) 3.54 8.51 -104.67 3 3 1 44 299.866 9

Activity (Go SEA)

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