UCSF

ZINC33780115

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2009 35 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) 7.20 11.21 -15.39 1 6 0 73 488.609 5
Ref Reference (pH 7) 7.20 12.77 -15.28 1 6 0 73 488.609 5
Lo Low (pH 4.5-6) 7.20 13.08 -34.01 2 6 1 75 489.617 5
Lo Low (pH 4.5-6) 7.20 11.75 -35.79 2 6 1 75 489.617 5

Activity (Go SEA)

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