| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 1st, 2005 | 26 | No |
Popular Name: 6-amino-8-(4-chlorophenyl)-2-ethyl-2,3,8,8a-tetrahydro-5,5,7(1H)-isoquinolinetricarbonitrile 6-amino-8-(4-chlorophenyl)-2-eth…
| 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) | 3.50 | 6.77 | -15.36 | 1 | 5 | 0 | 98 | 363.852 | 2 | ↓ |
| Hi High (pH 8-9.5) | 3.50 | 6.93 | -13.59 | 0 | 5 | 0 | 97 | 362.844 | 2 | ↓ |
| Mid Mid (pH 6-8) | 3.50 | 2.4 | -119.87 | 3 | 5 | 2 | 101 | 365.868 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 3.50 | 9.11 | -60.06 | 2 | 5 | 1 | 100 | 364.86 | 2 | ↓ |
