UCSF

ZINC72130926

Substance Information

In ZINC since Heavy atoms Benign functionality
March 4th, 2012 22 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) 1.18 6.78 -15.72 1 5 0 58 296.374 4
Lo Low (pH 4.5-6) 1.18 7.28 -41.77 2 5 1 59 297.382 4

Activity (Go SEA)

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

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