UCSF

ZINC66989377

Substance Information

In ZINC since Heavy atoms Benign functionality
September 4th, 2011 19 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) 2.17 5.04 -41.54 3 4 1 55 262.377 6
Mid Mid (pH 6-8) 2.17 3.77 -9.24 2 4 0 50 261.369 6

Activity (Go SEA)

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