UCSF

ZINC48606577

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2010 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) 2.41 6.77 -8.69 1 3 0 46 258.227 1
Mid Mid (pH 6-8) 2.86 4.95 -44.1 0 3 -1 49 257.219 1

Activity (Go SEA)

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