UCSF

ZINC26166749

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2009 27 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) 4.38 7.56 -15.66 2 6 0 65 372.513 5
Lo Low (pH 4.5-6) 4.38 9.73 -53.39 3 6 1 66 373.521 5

Activity (Go SEA)

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