| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 1st, 2006 | 25 | No |
Popular Name: 6-amino-2-propyl-8-(3-thienyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile 6-amino-2-propyl-8-(3-thienyl)-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) | 2.36 | 5.99 | -7.35 | 2 | 5 | 0 | 101 | 349.463 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.44 | 1.7 | -113.34 | 3 | 5 | 2 | 101 | 351.479 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.36 | 5.8 | -46.63 | 3 | 5 | 1 | 102 | 350.471 | 3 | ↓ |
