UCSF

ZINC48630847

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2010 15 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) 1.36 0.93 -9.39 4 5 0 88 204.233 2
Lo Low (pH 4.5-6) 1.36 1.39 -29.5 5 5 1 89 205.241 2
Lo Low (pH 4.5-6) 1.36 1.4 -32.38 5 5 1 89 205.241 2

Activity (Go SEA)

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

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