UCSF

ZINC04797682

Substance Information

In ZINC since Heavy atoms Benign functionality
January 4th, 2006 27 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) 6.04 12.26 -10.39 1 4 0 45 385.577 8
Lo Low (pH 4.5-6) 6.04 12.57 -29.32 2 4 1 46 386.585 8

Activity (Go SEA)

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