UCSF

ZINC08289536

Substance Information

In ZINC since Heavy atoms Benign functionality
July 7th, 2006 28 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) 3.79 5.76 -13.37 2 6 0 85 400.431 6
Mid Mid (pH 6-8) 3.79 5.81 -46.64 1 6 -1 87 399.423 6

Activity (Go SEA)

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