UCSF

ZINC33738629

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 30 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) 5.41 10.46 -15.25 2 6 0 84 463.39 6
Hi High (pH 8-9.5) 5.60 9.41 -41.5 1 6 -1 90 462.382 6

Activity (Go SEA)

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