UCSF

ZINC23340245

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2008 27 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) 3.37 8.54 -12.28 1 5 0 37 385.533 7
Mid Mid (pH 6-8) 3.37 10.76 -52.65 2 5 1 38 386.541 7

Activity (Go SEA)

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