UCSF

ZINC48708861

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2010 20 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) 0.67 3.69 -7.77 2 6 0 74 276.34 4
Lo Low (pH 4.5-6) 0.67 4.14 -30.04 3 6 1 76 277.348 4

Activity (Go SEA)

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