UCSF

ZINC37804456

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) -0.25 3.91 -45.65 2 6 1 66 270.353 4
Hi High (pH 8-9.5) -0.25 2.55 -13.68 1 6 0 62 269.345 4

Activity (Go SEA)

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