UCSF

ZINC42134797

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 19 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) -0.88 2.13 -6.85 2 5 0 72 282.275 2
Lo Low (pH 4.5-6) -0.87 2.43 -46.37 3 5 1 74 283.283 2

Activity (Go SEA)

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

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