UCSF

ZINC37116323

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 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) -1.07 -0.76 -119.32 5 5 2 78 235.353 4
Hi High (pH 8-9.5) -1.07 -1.16 -48.96 4 5 1 77 234.345 4

Activity (Go SEA)

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