UCSF

ZINC43394663

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 19 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) 3.07 8.42 -38.98 2 3 1 40 260.405 7
Hi High (pH 8-9.5) 3.07 6.27 -5.96 1 3 0 39 259.397 7

Activity (Go SEA)

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