UCSF

ZINC26746517

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2009 31 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) 1.73 10.77 -94.01 2 6 0 82 464.324 3
Lo Low (pH 4.5-6) -1.02 9.8 -69.07 3 6 1 85 465.332 2

Activity (Go SEA)

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