UCSF

ZINC46041677

Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2010 17 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) -0.02 3.4 -15.04 1 5 0 62 235.287 4
Lo Low (pH 4.5-6) -0.02 3.86 -47.69 2 5 1 64 236.295 4

Activity (Go SEA)

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