UCSF

ZINC41584930

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 31 Yes

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) 4.55 9.58 -39.83 2 5 1 54 418.492 5
Hi High (pH 8-9.5) 4.55 8.07 -42.36 0 5 -1 56 416.476 5
Mid Mid (pH 6-8) 4.55 7.32 -9.59 1 5 0 53 417.484 5
Mid Mid (pH 6-8) 4.55 9.59 -40.55 2 5 1 54 418.492 5

Activity (Go SEA)

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