UCSF

ZINC69504714

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 21 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) 2.87 5.21 -8.08 2 3 0 45 282.318 4
Lo Low (pH 4.5-6) 2.87 5.57 -37.56 3 3 1 46 283.326 4

Activity (Go SEA)

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

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