UCSF

ZINC49116437

Substance Information

In ZINC since Heavy atoms Benign functionality
September 24th, 2010 32 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) 1.09 0.03 -17.43 5 12 0 158 449.512 5
Mid Mid (pH 6-8) 1.09 1.04 -44.95 6 12 1 159 450.52 5

Activity (Go SEA)

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