UCSF

ZINC22044877

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 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) 0.87 0.75 -41.34 3 5 1 59 281.376 5
Hi High (pH 8-9.5) 0.87 -0.59 -6.58 2 5 0 54 280.368 5

Activity (Go SEA)

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