UCSF

ZINC22713032

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 33 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) 6.11 12.45 -16.63 1 5 0 68 476.623 6
Mid Mid (pH 6-8) 6.11 12.58 -51.59 0 5 -1 70 475.615 6

Activity (Go SEA)

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

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