UCSF

ZINC67745702

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2011 17 Yes

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) 0.56 8.33 -51.52 1 6 1 61 239.299 4
Mid Mid (pH 6-8) 0.56 6.01 -12.19 0 6 0 60 238.291 4

Activity (Go SEA)

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

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