UCSF

ZINC68904531

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2011 16 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) -0.12 2.11 -10.85 1 5 0 73 221.26 4
Lo Low (pH 4.5-6) -0.12 3.62 -37.74 2 5 1 78 222.268 4

Activity (Go SEA)

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

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