UCSF

ZINC42134788

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 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) -0.25 4.68 -7.7 2 4 0 59 309.341 3
Lo Low (pH 4.5-6) -0.25 4.99 -45 3 4 1 61 310.349 3

Activity (Go SEA)

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

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