UCSF

ZINC35698291

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 19 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) 1.83 8.07 -13.87 1 4 0 62 285.353 1
Mid Mid (pH 6-8) 2.29 6.77 -37.79 0 4 -1 65 284.345 1

Activity (Go SEA)

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