UCSF

ZINC47874149

Substance Information

In ZINC since Heavy atoms Benign functionality
September 8th, 2010 13 No

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) -0.44 -0.29 -45.86 4 5 1 77 188.251 6
Hi High (pH 8-9.5) -0.44 -2.5 -17.17 3 5 0 75 187.243 6

Activity (Go SEA)

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