UCSF

ZINC65527288

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 20 Yes

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) 1.95 9.94 -41.97 2 5 1 57 288.4 4
Mid Mid (pH 6-8) 1.95 9.43 -10.25 1 5 0 56 287.392 4

Activity (Go SEA)

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

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