UCSF

ZINC67459703

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2011 23 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) 0.06 4.05 -38.73 2 6 1 61 331.387 7
Hi High (pH 8-9.5) 0.06 3.64 -15.37 1 6 0 59 330.379 7
Lo Low (pH 4.5-6) 0.06 5.44 -50.59 2 6 1 61 331.387 7

Activity (Go SEA)

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

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