UCSF

ZINC26960714

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2009 24 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) 1.68 8.41 -55.75 0 5 -1 71 358.748 5
Lo Low (pH 4.5-6) 1.68 7.52 -24.92 1 5 0 75 359.756 5

Activity (Go SEA)

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