UCSF

ZINC04626225

Substance Information

In ZINC since Heavy atoms Benign functionality
December 14th, 2005 19 No

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) 1.57 7.62 -7.59 1 5 0 67 257.341 1
Ref Reference (pH 7) 1.57 7.78 -7.8 1 5 0 67 257.341 1
Mid Mid (pH 6-8) 1.36 -1.26 -29.42 1 5 1 68 258.349 2

Activity (Go SEA)

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

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