UCSF

ZINC33032682

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2009 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) 0.75 6.04 -15.48 1 6 0 56 346.475 6
Mid Mid (pH 6-8) 0.75 7.41 -65.36 2 6 1 60 347.483 6

Activity (Go SEA)

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