UCSF

ZINC41510807

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 24 Yes

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) 3.04 8.37 -38.35 2 5 1 68 325.388 5
Hi High (pH 8-9.5) 3.04 9.02 -23.33 1 5 0 71 324.38 5
Lo Low (pH 4.5-6) 3.04 8.77 -79.52 3 5 2 69 326.396 5

Activity (Go SEA)

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