UCSF

ZINC60120493

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2011 19 Yes

Popular Name: 4-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]oct-3-en-3-yl]isoquinoline 4-[(1S,5R)-8-methyl-8-azabicyclo…

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) 2.80 9.31 -36.79 1 2 1 17 251.353 1 ↓
Hi High (pH 8-9.5) 2.80 6.92 -5.23 0 2 0 16 250.345 1 ↓
Lo Low (pH 4.5-6) 2.80 9.77 -83.21 2 2 2 19 252.361 1 ↓

Activity (Go SEA)

Rings

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

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