UCSF

ZINC38740364

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2010 34 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 3.09 11.4 -67.39 1 10 -1 131 460.518 5
Mid Mid (pH 6-8) 2.63 12.87 -26.33 2 10 0 128 461.526 5

Activity (Go SEA)

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

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