UCSF

ZINC28070245

Substance Information

In ZINC since Heavy atoms Benign functionality
February 23rd, 2009 29 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) 1.89 7.38 -50.6 3 8 1 92 406.551 8
Hi High (pH 8-9.5) 2.34 6.47 -71.63 2 8 0 95 405.543 8

Activity (Go SEA)

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