UCSF

ZINC33509699

Substance Information

In ZINC since Heavy atoms Benign functionality
July 11th, 2009 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) 2.39 10.92 -60.56 0 9 -1 110 515.542 9
Lo Low (pH 4.5-6) 2.39 9.62 -25.4 1 9 0 107 516.55 9
Lo Low (pH 4.5-6) 2.39 10.06 -64.16 2 9 1 109 517.558 9

Activity (Go SEA)

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