| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 13th, 2006 | 27 | No |
Popular Name: 6-amino-8-(3-bromophenyl)-2-propyl-2,3,8,8a-tetrahydro-5,5,7(1H)-isoquinolinetricarbonitrile 6-amino-8-(3-bromophenyl)-2-prop…
| 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) | 4.11 | 8.27 | -10.66 | 1 | 5 | 0 | 98 | 422.33 | 3 | ↓ |
| Mid Mid (pH 6-8) | 4.11 | 1.85 | -116.83 | 3 | 5 | 2 | 101 | 424.346 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 4.11 | 10.59 | -59.67 | 2 | 5 | 1 | 100 | 423.338 | 3 | ↓ |
