UCSF

ZINC62963226

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 14 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) -0.21 -1.63 -11.26 2 4 0 73 232.33 1
Lo Low (pH 4.5-6) -0.21 -1.05 -39.36 3 4 1 74 233.338 1
Lo Low (pH 4.5-6) -0.21 -1.38 -57.07 3 4 1 75 233.338 1

Activity (Go SEA)

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

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