UCSF

ZINC42134765

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 20 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) -0.23 4.86 -8.44 2 4 0 59 278.258 2
Lo Low (pH 4.5-6) -0.23 5.17 -43.56 3 4 1 61 279.266 2

Activity (Go SEA)

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

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