UCSF

ZINC60322829

Substance Information

In ZINC since Heavy atoms Benign functionality
March 18th, 2011 37 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) 3.43 9.75 -55.43 1 9 -1 125 534.574 7
Mid Mid (pH 6-8) 4.36 10.31 -22.13 2 9 0 126 535.582 6

Activity (Go SEA)

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

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