UCSF

ZINC04790925

Substance Information

In ZINC since Heavy atoms Benign functionality
January 4th, 2006 30 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) 5.42 13.38 -13 1 4 0 46 413.374 4
Mid Mid (pH 6-8) 5.42 13.83 -33.49 2 4 1 48 414.382 4

Activity (Go SEA)

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