UCSF

ZINC49917542

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2010 38 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) 5.54 8.15 -107.74 10 6 2 126 602.434 12
Hi High (pH 8-9.5) 5.54 7.05 -44.27 9 6 1 121 601.426 12

Activity (Go SEA)

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