UCSF

ZINC35631849

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 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) 2.43 7.98 -13.43 1 6 0 84 283.287 3
Lo Low (pH 4.5-6) 2.43 8.55 -39.97 2 6 1 85 284.295 3

Activity (Go SEA)

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

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