UCSF

ZINC43075411

Substance Information

In ZINC since Heavy atoms Benign functionality
May 7th, 2010 22 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) 0.98 6.9 -11.72 1 6 0 65 295.346 4
Lo Low (pH 4.5-6) 0.98 7.36 -45.06 2 6 1 66 296.354 4

Activity (Go SEA)

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