UCSF

ZINC49539890

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 25 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) 2.49 5.92 -14.28 0 7 0 76 365.455 6
Mid Mid (pH 6-8) 2.49 6.23 -13.82 0 7 0 76 365.455 6

Activity (Go SEA)

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