| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 3rd, 2011 | 19 | Yes |
Popular Name: N-[(1S)-1-(3-methyl-2-thienyl)ethyl]isoquinolin-5-amine N-[(1S)-1-(3-methyl-2-thienyl)et…
| 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) | 4.09 | 8.06 | -6.04 | 1 | 2 | 0 | 25 | 268.385 | 3 | ↓ |
| Mid Mid (pH 6-8) | 4.09 | 8.53 | -32.25 | 2 | 2 | 1 | 26 | 269.393 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
