UCSF

ZINC07055032

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2006 27 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) 3.38 -7.37 -13.24 1 6 0 83 406.529 6
Hi High (pH 8-9.5) 3.38 -6.79 -45.87 0 6 -1 85 405.521 6

Activity (Go SEA)

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