UCSF

ZINC22042580

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 22 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) 3.77 10.6 -36.34 1 2 1 8 295.45 5
Mid Mid (pH 6-8) 3.77 10.98 -37 1 2 1 8 295.45 5
Mid Mid (pH 6-8) 3.77 8.72 -2.94 0 2 0 6 294.442 5

Activity (Go SEA)

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