UCSF

ZINC36804857

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2009 18 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) 0.77 6.11 -52.15 2 6 1 83 270.696 2
Mid Mid (pH 6-8) 0.77 4.75 -12.88 1 6 0 78 269.688 2

Activity (Go SEA)

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