UCSF

ZINC55663063

Substance Information

In ZINC since Heavy atoms Benign functionality
December 18th, 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) 3.38 5.73 -12.2 2 6 0 84 339.355 3
Lo Low (pH 4.5-6) 3.38 5.73 -11.04 2 6 0 84 339.355 3
Lo Low (pH 4.5-6) 3.38 6.15 -37.42 3 6 1 85 340.363 3

Activity (Go SEA)

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