UCSF

ZINC05594652

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2006 15 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) 0.40 2.57 -13.55 3 6 0 90 272.106 3
Lo Low (pH 4.5-6) 0.40 2.94 -39.73 4 6 1 91 273.114 3
Lo Low (pH 4.5-6) 0.40 -1.54 -37 4 6 1 91 273.114 3

Activity (Go SEA)

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