UCSF

ZINC27057975

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2009 25 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) 3.67 6.13 -79.71 1 6 -1 95 343.403 5
Lo Low (pH 4.5-6) 3.67 5.01 -26.54 2 6 0 92 344.411 5

Activity (Go SEA)

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