UCSF

ZINC34617187

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 33 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) 6.19 13.02 -11.24 0 6 0 77 439.515 9
Mid Mid (pH 6-8) 6.19 14.03 -32.14 1 6 1 78 440.523 9

Activity (Go SEA)

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