UCSF

ZINC05488453

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2006 30 No

Other Names:

MFCD01243776

Download: MOL2 SDF SMILES Flexibase

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) 4.20 4.81 -65.39 2 5 1 99 412.439 4
Mid Mid (pH 6-8) 4.20 4.69 -122.29 3 5 2 101 413.447 4

Activity (Go SEA)

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