UCSF

ZINC05491107

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2006 11 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) -0.47 -1.26 -32.87 3 6 -1 104 150.121 0
Mid Mid (pH 6-8) -0.93 0.17 -13.14 4 6 0 100 151.129 0

Activity (Go SEA)

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

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