UCSF

ZINC51355100

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2010 14 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) -0.31 -0.96 -55.44 6 4 1 83 194.258 5

Activity (Go SEA)

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