UCSF

ZINC04680343

Substance Information

In ZINC since Heavy atoms Benign functionality
December 28th, 2005 26 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) 3.73 -0.34 -48.55 2 4 1 42 373.904 6

Activity (Go SEA)

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