UCSF

ZINC37138352

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 18 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) 1.22 3.69 -47.62 3 4 1 57 249.334 3
Hi High (pH 8-9.5) 1.22 4.45 -38.33 2 4 0 60 248.326 3

Activity (Go SEA)

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