UCSF

ZINC39333934

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 30 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) 3.92 5.89 -11.55 2 6 0 65 450.366 6
Mid Mid (pH 6-8) 3.92 8.14 -57.78 3 6 1 66 451.374 6

Activity (Go SEA)

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