UCSF

ZINC57995731

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2011 26 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) 4.56 8.12 -5.55 2 5 0 61 420.351 4
Lo Low (pH 4.5-6) 4.56 9.26 -35.92 3 5 1 66 421.359 4

Activity (Go SEA)

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

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