UCSF

ZINC36754460

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 19 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) -0.55 -2.85 -53.26 4 7 1 99 268.341 4
Mid Mid (pH 6-8) -0.55 -0.98 -49.8 4 7 1 98 268.341 4
Lo Low (pH 4.5-6) -0.55 -0.66 -118.57 5 7 2 100 269.349 4

Activity (Go SEA)

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

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