UCSF

ZINC49448341

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 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) 1.21 0.39 -24.94 4 7 0 110 339.149 4
Hi High (pH 8-9.5) 1.21 1.4 -68.45 3 7 -1 113 338.141 4

Activity (Go SEA)

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