UCSF

ZINC22108744

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 18 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) 2.88 6.33 -38.54 2 2 1 20 279.454 3
Hi High (pH 8-9.5) 2.88 5.06 -3.18 1 2 0 15 278.446 3

Activity (Go SEA)

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