UCSF

ZINC36185293

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 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) 4.45 13.42 -17.33 0 5 0 47 399.494 7
Lo Low (pH 4.5-6) 4.45 14.09 -32.82 1 5 1 49 400.502 7

Activity (Go SEA)

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