UCSF

ZINC06688106

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2006 22 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) 4.14 9.95 -41.14 2 3 1 38 315.824 5
Hi High (pH 8-9.5) 4.14 8.58 -7.69 1 3 0 34 314.816 5

Activity (Go SEA)

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