UCSF

ZINC04798032

Substance Information

In ZINC since Heavy atoms Benign functionality
January 4th, 2006 30 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) 4.97 12.75 -58.7 2 4 1 47 413.488 10
Hi High (pH 8-9.5) 4.97 10.64 -12.25 1 4 0 45 412.48 10

Activity (Go SEA)

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