UCSF

ZINC53353442

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2010 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) 4.53 10.62 -13.25 0 7 0 83 413.47 11
Mid Mid (pH 6-8) 4.71 10.23 -10.2 0 7 0 83 413.47 11

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.