UCSF

ZINC41583673

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 30 No

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) 5.69 12.87 -40.8 2 4 1 55 404.53 4
Mid Mid (pH 6-8) 5.69 13.44 -26.99 1 4 0 58 403.522 4

Activity (Go SEA)

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