UCSF

ZINC06325522

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 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) 5.40 11.91 -12.17 1 4 0 45 375.497 5
Mid Mid (pH 6-8) 5.40 11.99 -83.37 2 4 0 46 376.505 5

Activity (Go SEA)

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