UCSF

ZINC39230304

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 25 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) 4.27 10.73 -9.4 1 4 0 45 337.467 7
Lo Low (pH 4.5-6) 4.27 11.24 -31.37 2 4 1 46 338.475 7

Activity (Go SEA)

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