UCSF

ZINC64549699

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2011 35 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) 4.28 8.72 -16.07 2 7 0 85 470.573 6
Lo Low (pH 4.5-6) 4.28 9.51 -52.18 3 7 1 89 471.581 6

Activity (Go SEA)

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

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