UCSF

ZINC42462981

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 15 No

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) 0.47 2.48 -40.44 2 4 1 46 231.341 1
Mid Mid (pH 6-8) 0.47 1.41 -8.84 1 4 0 42 230.333 1

Activity (Go SEA)

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