UCSF

ZINC39301107

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 31 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) 5.57 14.57 -12.33 3 6 0 79 413.525 6
Lo Low (pH 4.5-6) 5.57 14.2 -40.57 4 6 1 80 414.533 6

Activity (Go SEA)

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