UCSF

ZINC22105541

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 18 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) 3.19 7.61 -28.78 2 2 1 16 247.406 3
Lo Low (pH 4.5-6) 3.19 7.77 -39.64 2 2 1 20 247.406 3

Activity (Go SEA)

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