UCSF

ZINC43896626

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 20 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) 3.37 7.97 -29.42 2 3 1 26 277.432 6
Mid Mid (pH 6-8) 3.37 8.98 -115.02 3 3 2 30 278.44 6

Activity (Go SEA)

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