UCSF

ZINC41194955

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 21 Yes

Popular Name: (1R,5S)-3-(4-isopropylthiazol-2-yl)-8-methyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine (1R,5S)-3-(4-isopropylthiazol-2-…

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) 3.38 6.65 -33.31 2 3 1 33 308.515 5 ↓
Hi High (pH 8-9.5) 3.38 7.89 -32.23 2 3 1 29 308.515 5 ↓
Mid Mid (pH 6-8) 3.38 9.03 -100.85 3 3 2 34 309.523 5 ↓

Activity (Go SEA)

Rings

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