UCSF

ZINC59514210

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2011 22 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 4.12 4.4 -14.09 3 5 0 74 427.096 5
Mid Mid (pH 6-8) 4.12 5.17 -44.01 2 5 -1 77 426.088 5

Activity (Go SEA)

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

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