UCSF

ZINC49908136

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2010 24 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) -2.36 5.94 -50.2 1 7 0 93 345.38 2
Mid Mid (pH 6-8) -3.94 6.1 -40.48 1 7 1 87 346.388 2

Activity (Go SEA)

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