UCSF

ZINC55104363

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 25 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) 1.78 3.07 -49.55 0 8 -1 106 385.443 7
Lo Low (pH 4.5-6) 1.78 3.48 -43.77 1 8 0 107 386.451 7

Activity (Go SEA)

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

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