UCSF

ZINC37211935

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 18 No

Popular Name: (4R)-N-[2-(2-thienyl)ethyl]isothiochroman-4-amine (4R)-N-[2-(2-thienyl)ethyl]isoth…

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) 3.69 8.36 -4.23 1 1 0 12 275.442 4 ↓
Lo Low (pH 4.5-6) 3.69 9.59 -44.97 2 1 1 17 276.45 4 ↓

Activity (Go SEA)

Rings

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

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