UCSF

ZINC66183910

Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2011 26 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) 5.71 10.89 -5.91 2 3 0 33 346.474 8
Lo Low (pH 4.5-6) 5.71 11.49 -38.46 3 3 1 38 347.482 8

Activity (Go SEA)

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

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