UCSF

ZINC39794744

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2010 13 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) 2.27 6 -117.69 4 2 2 32 188.359 7
Mid Mid (pH 6-8) 2.27 5.72 -33.6 3 2 1 30 187.351 7

Activity (Go SEA)

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