UCSF

ZINC41663915

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 31 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) 5.26 11.34 -12.33 0 6 0 73 482.33 3
Mid Mid (pH 6-8) 5.26 13.85 -44.07 1 6 1 74 483.338 3

Activity (Go SEA)

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