UCSF

ZINC66442660

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2011 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) 0.36 1.53 -7.26 4 4 0 67 205.261 3
Lo Low (pH 4.5-6) 0.36 1.39 -51.88 5 4 1 69 206.269 3

Activity (Go SEA)

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

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