| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 22nd, 2008 | 24 | No |
Popular Name: 6-amino-2-ethyl-8-(3-thienyl)-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile 6-amino-2-ethyl-8-(3-thienyl)-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) | 1.85 | 5.13 | -9.04 | 2 | 5 | 0 | 101 | 335.436 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.94 | 6.55 | -104.94 | 3 | 5 | 2 | 101 | 337.452 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 1.85 | 4.96 | -46.14 | 3 | 5 | 1 | 102 | 336.444 | 2 | ↓ |
