UCSF

ZINC16609181

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2008 27 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) 5.24 9.52 -9.42 0 4 0 38 385.87 3
Ref Reference (pH 7) 5.24 9.78 -7.1 0 4 0 38 385.87 3
Mid Mid (pH 6-8) 5.24 11.82 -45.89 1 4 1 39 386.878 3
Mid Mid (pH 6-8) 5.24 12.08 -44.92 1 4 1 39 386.878 3

Activity (Go SEA)

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