UCSF

ZINC05432479

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2006 38 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) 7.37 -2.56 -137.81 5 5 3 56 502.686 10

Activity (Go SEA)

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