UCSF

ZINC57525858

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2011 24 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) 4.57 6.99 -45.33 0 4 -1 61 377.898 4
Lo Low (pH 4.5-6) 4.57 6.82 -15.14 1 4 0 59 378.906 4

Activity (Go SEA)

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

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