UCSF

ZINC22450616

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 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) 3.55 6.73 -9.37 1 4 0 49 269.348 2
Hi High (pH 8-9.5) 4.01 5.69 -49.11 0 4 -1 52 268.34 2

Activity (Go SEA)

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