UCSF

ZINC58003093

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2011 20 Yes

Popular Name: N-[(1R)-2-(4-fluorophenyl)-1-methyl-ethyl]thieno[3,2-c]pyridin-4-amine N-[(1R)-2-(4-fluorophenyl)-1-met…

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) 4.09 10.06 -33.48 2 2 1 26 287.383 4 ↓
Hi High (pH 8-9.5) 4.09 9.72 -8.18 1 2 0 25 286.375 4 ↓

Activity (Go SEA)

Rings

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

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