UCSF

ZINC53648123

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 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) -0.03 1.83 -25.46 1 7 0 98 289.169 4
Hi High (pH 8-9.5) -0.03 2.69 -60.14 0 7 -1 101 288.161 4

Activity (Go SEA)

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

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