UCSF

ZINC40046590

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2010 24 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) -0.02 2 -61.18 1 7 -1 107 327.316 6
Lo Low (pH 4.5-6) -0.02 1.7 -45.86 3 7 1 105 329.332 6
Lo Low (pH 4.5-6) -0.02 1.25 -16.78 2 7 0 104 328.324 6
Lo Low (pH 4.5-6) -0.02 2.45 -70.1 2 7 0 108 328.324 6

Activity (Go SEA)

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