UCSF

ZINC05132040

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2006 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) -3.41 -8.6 -14.46 5 7 0 127 208.166 3

Activity (Go SEA)

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