UCSF

ZINC04594099

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2005 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) 3.73 8.8 -19.66 2 5 0 63 353.447 7
Lo Low (pH 4.5-6) 3.73 9.14 -39.27 3 5 1 64 354.455 7

Activity (Go SEA)

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