UCSF

ZINC17135531

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2008 34 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) 4.09 12.7 -12.77 2 8 0 94 452.518 5
Lo Low (pH 4.5-6) 4.09 12.98 -40.86 3 8 1 95 453.526 5

Activity (Go SEA)

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