UCSF

ZINC59110771

Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 2011 35 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) 3.83 10.02 -47.69 1 10 -1 125 496.569 9
Lo Low (pH 4.5-6) 3.83 9.85 -17.87 2 10 0 123 497.577 9

Activity (Go SEA)

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

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