UCSF

ZINC04901920

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2006 26 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) 1.66 2.65 -10.71 3 7 0 110 345.362 3
Ref Reference (pH 7) 1.66 2.02 -10.27 3 7 0 110 345.362 3
Lo Low (pH 4.5-6) 1.66 2.48 -37.43 4 7 1 111 346.37 3
Lo Low (pH 4.5-6) 1.66 3.1 -36.87 4 7 1 111 346.37 3

Activity (Go SEA)

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