UCSF

ZINC17176520

Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 2008 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) 4.35 11.84 -8.36 0 2 0 26 284.362 4
Lo Low (pH 4.5-6) 4.35 12.05 -33.32 1 2 1 27 285.37 4
Lo Low (pH 4.5-6) 4.35 11.84 -28.03 1 2 1 27 285.37 4
Lo Low (pH 4.5-6) 4.35 12.05 -72.66 2 2 2 28 286.378 4

Activity (Go SEA)

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