UCSF

ZINC61819225

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2011 16 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) 3.28 6.72 -2.57 2 2 0 29 238.762 1
Mid Mid (pH 6-8) 3.28 6.92 -26.01 3 2 1 30 239.77 1

Activity (Go SEA)

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