UCSF

ZINC35112227

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 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) 7.87 14.4 -13.68 0 5 0 53 486.637 6
Ref Reference (pH 7) 7.87 15.83 -13.7 0 5 0 53 486.637 6
Lo Low (pH 4.5-6) 7.87 14.89 -32.15 1 5 1 54 487.645 6
Lo Low (pH 4.5-6) 7.87 16.17 -30.11 1 5 1 54 487.645 6

Activity (Go SEA)

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