UCSF

ZINC69057225

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 18th, 2011 23 Yes

Popular Name: 4-[[(2-fluorophenyl)methyl-methyl-amino]methyl]-7-methyl-chromen-2-one 4-[[(2-fluorophenyl)methyl-methy…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.68 12.11 -52.17 1 3 1 35 312.364 4 ↓
Mid Mid (pH 6-8) 3.68 9.77 -10.6 0 3 0 33 311.356 4 ↓

Activity (Go SEA)

Rings

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

No pre-computed analogs available. Try a structural similarity search.