UCSF

ZINC60021331

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 36 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) -2.73 2.36 -102.54 3 14 -1 207 574.668 12
Mid Mid (pH 6-8) -2.73 0.88 -113.08 2 14 -2 202 573.66 12

Activity (Go SEA)

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

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