UCSF

ZINC05450731

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2006 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) -3.72 -11.36 -111.87 0 7 -2 123 280.279 3

Activity (Go SEA)

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