UCSF

ZINC39294670

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 18 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) 0.39 6.27 -72.08 2 5 -1 88 243.242 1
Lo Low (pH 4.5-6) 0.43 4.75 -33.03 3 5 0 91 244.25 1

Activity (Go SEA)

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