UCSF

ZINC40444985

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 18 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) 3.50 3.76 -9.27 3 5 0 78 469.02 3
Hi High (pH 8-9.5) 3.50 4.76 -45.06 2 5 -1 81 468.012 3

Activity (Go SEA)

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

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