UCSF

ZINC58342862

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2011 27 Yes

Popular Name: 7-ethyl-4-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]chromen-2-one 7-ethyl-4-[[methyl-[[4-(trifluor…

Find On: PubMed — Wikipedia — Google

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) 4.93 11.19 -13.05 0 3 0 33 375.39 6 ↓
Mid Mid (pH 6-8) 4.93 13.52 -66.59 1 3 1 35 376.398 6 ↓

Activity (Go SEA)

Rings

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

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