UCSF

ZINC04553118

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2005 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) -2.23 7.68 -29.37 3 9 1 112 426.497 7

Activity (Go SEA)

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