UCSF

ZINC11535848

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2008 12 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) 0.92 -0.74 -5.54 0 3 0 31 165.192 1
Lo Low (pH 4.5-6) 0.92 -0.63 -30.61 1 3 1 33 166.2 1

Activity (Go SEA)

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

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