UCSF

ZINC06668969

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2006 27 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) 2.38 9.76 -51.47 1 6 1 58 384.843 5
Mid Mid (pH 6-8) 2.38 9.45 -18.79 0 6 0 57 383.835 5

Activity (Go SEA)

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