UCSF

ZINC40919110

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 30 No

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) 4.27 8.25 -16.64 2 7 0 93 442.928 7
Hi High (pH 8-9.5) 4.46 6.38 -44.45 1 7 -1 100 441.92 7

Activity (Go SEA)

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