UCSF

ZINC34680104

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 31 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) 3.45 11.54 -17.27 1 5 0 62 413.521 8
Lo Low (pH 4.5-6) 3.45 12 -49.56 2 5 1 64 414.529 8

Activity (Go SEA)

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