UCSF

ZINC06014106

Substance Information

In ZINC since Heavy atoms Benign functionality
February 24th, 2006 31 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) 1.94 4.46 -31.93 5 12 1 162 426.461 6
Hi High (pH 8-9.5) 1.94 2.2 -9.28 4 12 0 161 425.453 6

Activity (Go SEA)

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