UCSF

ZINC39278751

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 19 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) 4.39 7.29 -8.72 1 2 0 33 247.297 2
Lo Low (pH 4.5-6) 4.39 7.65 -33.42 2 2 1 34 248.305 2

Activity (Go SEA)

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