UCSF

ZINC09422230

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2007 23 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) 1.82 0.11 -17.72 1 6 0 76 308.341 4
Lo Low (pH 4.5-6) 1.82 -0.24 -38.91 2 6 1 78 309.349 4

Activity (Go SEA)

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

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