UCSF

ZINC59817970

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2011 30 No

Download: MOL2 SDF SMILES Flexibase

Annotations

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) -1.69 0.25 -14.97 7 10 0 168 416.434 9
Mid Mid (pH 6-8) -1.69 0.64 -45.38 8 10 1 170 417.442 9

Activity (Go SEA)

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

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