UCSF

ZINC39698076

Substance Information

In ZINC since Heavy atoms Benign functionality
March 4th, 2010 18 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) 2.12 2.69 -52.47 0 4 -1 58 281.382 1
Mid Mid (pH 6-8) 1.66 4.56 -13.39 1 4 0 55 282.39 1

Activity (Go SEA)

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