UCSF

ZINC06689945

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 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) 4.35 12.92 -32.28 1 5 1 53 398.914 6
Mid Mid (pH 6-8) 4.35 13.03 -13.03 0 5 0 51 397.906 6

Activity (Go SEA)

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