UCSF

ZINC06571337

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2006 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) 5.28 8.79 -26.6 2 2 1 26 269.755 2
Mid Mid (pH 6-8) 5.02 8.41 -25.76 2 2 1 30 269.755 1

Activity (Go SEA)

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