UCSF

ZINC27026037

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2009 30 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) 1.87 6.83 -79.98 2 6 0 80 409.461 6
Lo Low (pH 4.5-6) 1.87 6.02 -52.05 3 6 1 77 410.469 6

Activity (Go SEA)

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