UCSF

ZINC31964939

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 23 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) 2.52 3.63 -69.69 6 6 1 98 333.799 4
Hi High (pH 8-9.5) 2.52 3.23 -22.47 5 6 0 96 332.791 4

Activity (Go SEA)

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