UCSF

ZINC22991762

Substance Information

In ZINC since Heavy atoms Benign functionality
December 23rd, 2008 29 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) 4.22 9.84 -15.73 1 5 0 66 414.571 7
Mid Mid (pH 6-8) 4.22 9.91 -45.69 0 5 -1 69 413.563 7

Activity (Go SEA)

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

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