UCSF

ZINC61409400

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2011 20 No

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) -0.45 1.47 -57.17 4 7 1 95 281.336 4
Hi High (pH 8-9.5) -0.45 0.14 -13.07 3 7 0 91 280.328 4

Activity (Go SEA)

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

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