UCSF

ZINC33762845

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 39 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) 8.92 18.05 -30.68 2 6 1 66 528.717 12
Mid Mid (pH 6-8) 8.92 17.62 -16.55 1 6 0 65 527.709 12
Mid Mid (pH 6-8) 8.92 18.02 -46.81 2 6 1 69 528.717 12
Lo Low (pH 4.5-6) 8.92 18.45 -103.04 3 6 2 71 529.725 12

Activity (Go SEA)

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