UCSF

ZINC49164472

Substance Information

In ZINC since Heavy atoms Benign functionality
September 24th, 2010 16 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) 1.74 6.68 -27.78 2 3 1 26 227.372 5
Mid Mid (pH 6-8) 1.74 6.41 -105.21 3 3 2 30 228.38 5
Mid Mid (pH 6-8) 1.74 4.3 -33.99 2 3 1 29 227.372 5

Activity (Go SEA)

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