UCSF

ZINC39051098

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2010 9 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) 0.63 0.22 -6.73 2 3 0 45 124.143 1
Lo Low (pH 4.5-6) 0.63 0.63 -30.14 3 3 1 46 125.151 1

Activity (Go SEA)

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