UCSF

ZINC67656079

Substance Information

In ZINC since Heavy atoms Benign functionality
September 12th, 2011 22 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.55 4.63 -13.31 2 6 0 84 295.346 5
Lo Low (pH 4.5-6) 2.55 5.04 -34.5 3 6 1 85 296.354 5

Activity (Go SEA)

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