UCSF

ZINC41658828

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 26 No

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) 1.81 4.68 -9.97 0 6 0 65 352.39 5
Lo Low (pH 4.5-6) 1.81 8.02 -105.25 2 6 2 67 354.406 5
Lo Low (pH 4.5-6) 1.81 7.54 -50.77 1 6 1 66 353.398 5
Lo Low (pH 4.5-6) 1.81 5.17 -43.89 1 6 1 66 353.398 5

Activity (Go SEA)

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