UCSF

ZINC31965901

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 22 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) 2.06 6.09 -50.22 1 6 -1 91 319.362 6
Lo Low (pH 4.5-6) 2.06 4.97 -15.22 2 6 0 89 320.37 6

Activity (Go SEA)

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