UCSF

ZINC38574045

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 35 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 2.37 4.45 -42.58 4 9 1 133 477.541 6
Hi High (pH 8-9.5) 2.56 3.12 -74.44 3 9 0 140 476.533 6

Activity (Go SEA)

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

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