UCSF

ZINC39128308

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 12 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) 2.15 3.77 -33.48 0 4 -1 69 170.119 1
Lo Low (pH 4.5-6) 2.15 3.02 -6.63 1 4 0 66 171.127 1

Activity (Go SEA)

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