UCSF

ZINC04719680

Substance Information

In ZINC since Heavy atoms Benign functionality
January 1st, 2006 28 Yes

Other Names:

MFCD00356091

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) 2.95 -0.84 -48.05 2 5 1 53 398.552 4

Activity (Go SEA)

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