UCSF

ZINC49900122

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2010 16 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) 0.92 3.16 -13.95 1 5 0 59 228.292 7
Mid Mid (pH 6-8) 0.92 5.34 -44.25 2 5 1 60 229.3 7

Activity (Go SEA)

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