UCSF

ZINC49334863

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2010 18 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) -1.82 -4.58 -17.28 3 8 0 112 273.318 4
Mid Mid (pH 6-8) -1.82 -2.43 -52.74 4 8 1 114 274.326 4

Activity (Go SEA)

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