UCSF

ZINC17842844

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2008 28 Yes

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) 4.58 7.72 -11.99 2 5 0 75 414.552 6
Hi High (pH 8-9.5) 4.58 7.81 -43.45 1 5 -1 77 413.544 6

Activity (Go SEA)

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