UCSF

ZINC05499687

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2006 18 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) 0.53 4.26 -18.93 2 8 0 102 249.23 4
Lo Low (pH 4.5-6) 0.53 4.68 -49.93 3 8 1 103 250.238 4

Activity (Go SEA)

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

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