UCSF

ZINC66941864

Substance Information

In ZINC since Heavy atoms Benign functionality
September 3rd, 2011 27 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) 3.13 8.63 -38.36 2 5 0 63 380.469 7
Mid Mid (pH 6-8) 3.86 8.27 -65.09 1 5 -1 60 379.461 7

Activity (Go SEA)

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

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