UCSF

ZINC13220557

Substance Information

In ZINC since Heavy atoms Benign functionality
June 12th, 2008 22 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) 4.36 8.71 -12.1 0 3 0 31 289.334 2
Lo Low (pH 4.5-6) 4.36 8.94 -35.48 1 3 1 33 290.342 2

Activity (Go SEA)

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