UCSF

ZINC57830822

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2011 23 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) 2.24 6.06 -58.8 5 4 1 71 317.363 5
Lo Low (pH 4.5-6) 2.24 6.59 -90.36 6 4 2 73 318.371 5

Activity (Go SEA)

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