UCSF

ZINC07389749

Substance Information

In ZINC since Heavy atoms Benign functionality
May 27th, 2006 29 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) 4.14 8.6 -20.38 1 6 0 77 387.439 6
Lo Low (pH 4.5-6) 4.14 8.87 -44.53 2 6 1 79 388.447 6

Activity (Go SEA)

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

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