UCSF

ZINC04823104

Substance Information

In ZINC since Heavy atoms Benign functionality
January 6th, 2006 21 Yes

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) -0.48 -7.6 -15.14 5 10 0 149 297.271 3
Lo Low (pH 4.5-6) -0.48 -7.34 -36.11 6 10 1 150 298.279 3
Lo Low (pH 4.5-6) -0.48 -11.72 -36.36 6 10 1 150 298.279 3

Activity (Go SEA)

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