UCSF

ZINC25393793

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 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) 1.60 2.31 -13.7 1 7 0 80 346.431 5
Mid Mid (pH 6-8) 1.60 4.32 -55.8 2 7 1 82 347.439 5

Activity (Go SEA)

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