UCSF

ZINC21957921

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 17 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) -1.86 -1.38 -54.78 3 6 -1 110 238.219 4
Hi High (pH 8-9.5) -1.86 -0.59 -110.31 2 6 -2 113 237.211 4

Activity (Go SEA)

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