UCSF

ZINC20104038

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 36 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) 2.22 14.85 -40.55 1 9 1 83 481.584 4
Mid Mid (pH 6-8) 2.22 14.54 -14.51 0 9 0 82 480.576 4

Activity (Go SEA)

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