UCSF

ZINC34727272

Substance Information

In ZINC since Heavy atoms Benign functionality
September 24th, 2009 28 No

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) 4.60 6.46 -11.98 1 6 0 74 380.396 4
Hi High (pH 8-9.5) 4.60 7.24 -52.06 0 6 -1 77 379.388 4

Activity (Go SEA)

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