UCSF

ZINC28241235

Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 2009 30 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) 5.47 11.54 -11.04 1 3 0 41 410.904 3
Lo Low (pH 4.5-6) 5.47 12.29 -32.91 2 3 1 43 411.912 3

Activity (Go SEA)

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