UCSF

ZINC04461742

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 3.85 7.61 -11.96 2 5 0 63 353.447 6
Lo Low (pH 4.5-6) 3.85 7.96 -33.41 3 5 1 64 354.455 6

Activity (Go SEA)

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