UCSF

ZINC04102249

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 23 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) 1.73 2.47 -53.55 0 4 -1 66 313.373 1

Activity (Go SEA)

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