UCSF

ZINC69484993

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 20 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) -0.47 3.28 -20.84 2 6 0 77 271.324 3
Lo Low (pH 4.5-6) -0.47 5.52 -67.75 3 6 1 78 272.332 3

Activity (Go SEA)

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

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