UCSF

ZINC39546068

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2010 28 No

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) 4.73 7.55 -43.71 1 8 -1 124 419.822 6
Hi High (pH 8-9.5) 4.73 7.6 -98.39 0 8 -2 126 418.814 6
Mid Mid (pH 6-8) 4.73 6.56 -12.92 2 8 0 121 420.83 6
Mid Mid (pH 6-8) 4.73 6.62 -46.49 1 8 -1 124 419.822 6

Activity (Go SEA)

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