UCSF

ZINC22745381

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 35 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) 3.52 10.01 -22.68 3 8 0 128 487.537 9
Hi High (pH 8-9.5) 3.52 10.04 -46.44 2 8 -1 125 486.529 9

Activity (Go SEA)

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

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