UCSF

ZINC68955301

Substance Information

In ZINC since Heavy atoms Benign functionality
October 16th, 2011 12 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) -0.36 4 -7.97 2 5 0 66 168.2 1
Lo Low (pH 4.5-6) -0.36 4.52 -34.01 3 5 1 67 169.208 1

Activity (Go SEA)

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

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