UCSF

ZINC27642264

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2009 32 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) 3.80 6.61 -54.78 3 5 -1 101 455.493 12
Lo Low (pH 4.5-6) 3.80 5.49 -16.47 4 5 0 98 456.501 12

Activity (Go SEA)

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

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