| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 9th, 2011 | 19 | Yes |
Popular Name: (1S)-N-(5-isoquinolylmethyl)-1-(3-thienyl)ethanamine (1S)-N-(5-isoquinolylmethyl)-1-(…
| 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) | 3.11 | 8.17 | -45.44 | 2 | 2 | 1 | 29 | 269.393 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.11 | 6.95 | -5.38 | 1 | 2 | 0 | 25 | 268.385 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.11 | 8.64 | -98.42 | 3 | 2 | 2 | 31 | 270.401 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
