UCSF

ZINC06663041

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2006 24 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) 1.74 8.06 -13.87 1 6 0 67 323.4 5
Mid Mid (pH 6-8) 1.74 8.6 -44.26 2 6 1 68 324.408 5

Activity (Go SEA)

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