UCSF

ZINC37824310

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 19 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) -0.43 0.72 -88.07 6 6 2 95 270.377 4
Hi High (pH 8-9.5) -0.43 0.37 -41.73 5 6 1 94 269.369 4

Activity (Go SEA)

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