UCSF

ZINC89228900

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2013 10 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) -0.22 -2.52 -7.82 2 3 0 53 139.154 2
Lo Low (pH 4.5-6) -0.22 -2.11 -32.64 3 3 1 55 140.162 2

Activity (Go SEA)

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

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