UCSF

ZINC44086264

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 30 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) 5.43 13.52 -11.55 1 4 0 47 413.546 7
Lo Low (pH 4.5-6) 5.43 14.01 -37.87 2 4 1 48 414.554 7

Activity (Go SEA)

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