UCSF

ZINC06707327

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2006 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) 2.84 12.61 -22.42 0 5 0 54 413.521 6
Lo Low (pH 4.5-6) 2.84 12.69 -46.75 1 5 1 55 414.529 6

Activity (Go SEA)

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