UCSF

ZINC48313919

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 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) 1.87 7.52 -34.68 1 3 1 25 225.356 3
Hi High (pH 8-9.5) 1.87 5.14 -6.68 0 3 0 24 224.348 3

Activity (Go SEA)

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