UCSF

ZINC09421807

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2007 28 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) 5.15 -6.43 -14.61 2 6 0 92 414.87 4
Hi High (pH 8-9.5) 5.15 -5.85 -47.38 1 6 -1 94 413.862 4

Activity (Go SEA)

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

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