UCSF

ZINC32804072

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2009 18 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) 1.37 2.17 -10.01 2 4 0 56 248.326 4
Lo Low (pH 4.5-6) 1.37 4.15 -34.83 3 4 1 57 249.334 4

Activity (Go SEA)

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