UCSF

ZINC28226195

Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 2009 27 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) 2.47 8.19 -49.19 1 5 1 49 372.485 5
Hi High (pH 8-9.5) 2.47 5.83 -9.92 0 5 0 48 371.477 5

Activity (Go SEA)

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