In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 27th, 2004 | 24 | Yes |
Popular Name: (S)-1,2,3,4-Tetrahydro-6,7-dimethoxyisoquinoline-3-carboxylic acid benzyl ester (S)-1,2,3,4-Tetrahydro-6,7-dimet…
Find On: PubMed — Wikipedia — Google
CAS Number: 82586-59-2
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) | 2.56 | 8.62 | -48.12 | 2 | 5 | 1 | 61 | 328.388 | 6 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
Purity | 98% | Fluorochem |
No pre-computed analogs available. Try a structural similarity search.