UCSF

ZINC43698660

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 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) 0.92 6.08 -42.98 2 4 1 45 295.428 6
Hi High (pH 8-9.5) 0.92 4.03 -14.04 1 4 0 44 294.42 6

Activity (Go SEA)

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