UCSF

ZINC54053404

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2010 17 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) -0.47 3.88 -48.38 0 5 -1 78 260.266 4

Activity (Go SEA)

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