UCSF

ZINC41584849

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 34 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 5.36 12.09 -48.3 2 5 1 58 520.447 5
Hi High (pH 8-9.5) 5.36 10.36 -41.04 0 5 -1 60 518.431 5
Mid Mid (pH 6-8) 5.36 12.04 -47.91 2 5 1 58 520.447 5
Mid Mid (pH 6-8) 5.36 12.65 -30.94 1 5 0 61 519.439 5
Mid Mid (pH 6-8) 5.36 9.79 -8.73 1 5 0 57 519.439 5

Activity (Go SEA)

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