UCSF

ZINC06688083

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2006 21 No

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) 3.74 9.31 -47.96 2 3 1 38 301.797 5
Hi High (pH 8-9.5) 3.74 7.91 -11.64 1 3 0 34 300.789 5

Activity (Go SEA)

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