UCSF

ZINC22050554

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 24 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) 3.87 9.99 -29.09 2 3 1 26 325.476 5
Hi High (pH 8-9.5) 3.87 9.98 -39.06 2 3 1 29 325.476 5
Hi High (pH 8-9.5) 3.87 7.92 -3.34 1 3 0 24 324.468 5

Activity (Go SEA)

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