UCSF

ZINC33675051

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2009 31 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) 5.41 12.81 -38.54 0 4 -1 60 475.362 5
Lo Low (pH 4.5-6) 5.41 11.68 -14.92 1 4 0 58 476.37 5

Activity (Go SEA)

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