UCSF

ZINC22742681

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 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) 3.82 7.26 -24.51 2 7 0 101 434.518 8
Hi High (pH 8-9.5) 3.89 6.44 -88.36 0 7 -2 109 432.502 8
Mid Mid (pH 6-8) 3.82 7.34 -45.85 1 7 -1 103 433.51 8

Activity (Go SEA)

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

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