UCSF

ZINC17201599

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2008 21 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) 5.05 10.07 -8.23 1 3 0 41 297.358 3
Ref Reference (pH 7) 4.12 9.87 -9.34 1 3 0 37 297.358 4
Lo Low (pH 4.5-6) 5.05 10.06 -8.32 1 3 0 41 297.358 3

Activity (Go SEA)

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

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