UCSF

ZINC43435146

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 16 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) 1.92 6.29 -9.43 1 4 0 62 226.32 8
Lo Low (pH 4.5-6) 1.92 6.23 -38.33 2 4 1 67 227.328 8

Activity (Go SEA)

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