UCSF

ZINC69237365

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2011 20 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) 3.13 7.62 -48.92 3 2 1 31 269.412 6
Lo Low (pH 4.5-6) 3.13 9.24 -128.78 4 2 2 32 270.42 6

Activity (Go SEA)

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

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