UCSF

ZINC20673062

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2008 23 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) 2.91 5.73 -12.85 1 5 0 54 331.441 4
Lo Low (pH 4.5-6) 2.91 6.07 -35.52 2 5 1 56 332.449 4

Activity (Go SEA)

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