UCSF

ZINC85995608

Substance Information

In ZINC since Heavy atoms Benign functionality
February 26th, 2013 34 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) 7.70 16.74 -134.24 0 4 -2 80 468.678 11
Lo Low (pH 4.5-6) 7.70 14.8 -50.77 1 4 -1 77 469.686 11
Lo Low (pH 4.5-6) 7.70 14.75 -49.75 1 4 -1 77 469.686 11

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.