UCSF

ZINC07050440

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2006 20 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) 3.02 3.69 -47.52 1 5 -1 77 306.754 3
Mid Mid (pH 6-8) 3.02 3.68 -42.09 1 5 -1 77 306.754 3
Mid Mid (pH 6-8) 3.02 3.54 -10.37 2 5 0 75 307.762 3
Mid Mid (pH 6-8) 3.02 3.57 -13.99 2 5 0 75 307.762 3

Activity (Go SEA)

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