UCSF

ZINC04527176

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2005 29 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) 3.98 12.54 -99.2 2 5 2 42 399.579 7
Mid Mid (pH 6-8) 3.98 10.3 -44.33 1 5 1 41 398.571 7

Activity (Go SEA)

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