UCSF

ZINC57294161

Substance Information

In ZINC since Heavy atoms Benign functionality
January 19th, 2011 19 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) 0.42 2.06 -51.41 1 6 -1 86 260.273 5
Mid Mid (pH 6-8) 0.42 2.85 -51.17 1 6 -1 86 260.273 4
Lo Low (pH 4.5-6) 0.24 4.44 -10.11 2 6 0 80 261.281 4

Activity (Go SEA)

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

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