UCSF

ZINC19280172

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2008 15 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) 0.94 3.63 -46.06 2 4 1 46 228.703 4
Hi High (pH 8-9.5) 0.94 1.09 -9.13 1 4 0 45 227.695 4

Activity (Go SEA)

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