UCSF

ZINC41663755

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 32 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) 5.41 11.21 -12.3 0 6 0 73 449.89 2
Mid Mid (pH 6-8) 5.41 14.21 -43.7 1 6 1 74 450.898 2

Activity (Go SEA)

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