UCSF

ZINC42897444

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 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) 1.78 4.34 -36.8 3 4 1 55 249.334 5
Hi High (pH 8-9.5) 1.78 3 -8.51 2 4 0 50 248.326 5

Activity (Go SEA)

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