UCSF

ZINC22205783

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 20 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) 1.61 2.42 -53.22 4 4 1 66 276.356 8
Hi High (pH 8-9.5) 1.61 1.01 -11.77 3 4 0 62 275.348 8

Activity (Go SEA)

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