UCSF

ZINC54055100

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2010 16 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) -1.88 2.09 -50.79 1 6 -1 84 229.256 3

Activity (Go SEA)

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