In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 4th, 2010 | 21 | Yes |
Popular Name: 3-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)quinolin-2-amine 3-(aminomethyl)-N-propyl-N-(2,2,…
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) | 3.30 | 7.36 | -60.1 | 3 | 3 | 1 | 44 | 298.332 | 6 | ↓ |
Hi High (pH 8-9.5) | 3.30 | 7.28 | -8.97 | 2 | 3 | 0 | 42 | 297.324 | 6 | ↓ |
Lo Low (pH 4.5-6) | 3.30 | 7.82 | -109.23 | 4 | 3 | 2 | 45 | 299.34 | 6 | ↓ |