UCSF

ZINC22241699

Substance Information

In ZINC since Heavy atoms Benign functionality
December 14th, 2008 23 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) 2.74 8.92 -44.75 2 4 1 46 316.469 5
Lo Low (pH 4.5-6) 2.74 9.31 -91.13 3 4 2 48 317.477 5

Activity (Go SEA)

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