| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 5th, 2005 | 26 | No |
Popular Name: 2-amino-4-(5-butyl-2-thienyl)-4a,5,6,7-tetrahydro-1,3,3(4H)-naphthalenetricarbonitrile 2-amino-4-(5-butyl-2-thienyl)-4a…
| 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) | 4.98 | 10.76 | -15.46 | 1 | 4 | 0 | 95 | 362.502 | 4 | ↓ |
| Mid Mid (pH 6-8) | 4.98 | 1.7 | -39.63 | 2 | 4 | 1 | 96 | 363.51 | 4 | ↓ |
| Mid Mid (pH 6-8) | 4.98 | 10.92 | -13.94 | 0 | 4 | 0 | 94 | 361.494 | 4 | ↓ |
