UCSF

ZINC22128134

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 27 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 4.42 11.32 -42.09 2 3 1 29 359.493 6
Hi High (pH 8-9.5) 4.42 9.96 -5.26 1 3 0 24 358.485 6

Activity (Go SEA)

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