UCSF

ZINC22866612

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2008 25 Yes

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) 4.87 11.29 -22.27 1 4 0 66 367.861 4
Hi High (pH 8-9.5) 4.94 10.37 -44.77 0 4 -1 72 366.853 4

Activity (Go SEA)

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