UCSF

ZINC29375124

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2009 31 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) 5.46 13.14 -44.39 2 4 1 37 414.573 6
Mid Mid (pH 6-8) 5.46 10.77 -14 1 4 0 36 413.565 6

Activity (Go SEA)

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