UCSF

ZINC48623157

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2010 20 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) 1.91 6.28 -11.01 1 4 0 55 270.263 3
Mid Mid (pH 6-8) 2.37 3.98 -46.68 0 4 -1 58 269.255 3

Activity (Go SEA)

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