| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 14th, 2011 | 21 | No |
Popular Name: N-[(1R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-methyl-ethyl]-1-oxo-thian-4-amine N-[(1R)-2-(3,4-dihydro-1H-isoqui…
| 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) | 1.24 | 6.03 | -53.49 | 2 | 3 | 1 | 37 | 307.483 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.24 | 4.48 | -11.26 | 1 | 3 | 0 | 32 | 306.475 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.24 | 7.84 | -148.13 | 3 | 3 | 2 | 38 | 308.491 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
