In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 31st, 2010 | 18 | Yes |
Popular Name: 6-(aminomethyl)-N-methyl-N-[2-(4-pyridyl)ethyl]pyridin-2-amine 6-(aminomethyl)-N-methyl-N-[2-(4…
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) | 0.91 | 5.26 | -46.22 | 3 | 4 | 1 | 57 | 243.334 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.91 | 5.17 | -30.33 | 3 | 4 | 1 | 56 | 243.334 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.91 | 4.85 | -6.92 | 2 | 4 | 0 | 55 | 242.326 | 5 | ↓ |
Mid Mid (pH 6-8) | 0.91 | 5.71 | -91.73 | 4 | 4 | 2 | 58 | 244.342 | 5 | ↓ |
Lo Low (pH 4.5-6) | 0.91 | 6.02 | -165.33 | 5 | 4 | 3 | 59 | 245.35 | 5 | ↓ |
Lo Low (pH 4.5-6) | 0.91 | 5.63 | -76.64 | 4 | 4 | 2 | 58 | 244.342 | 5 | ↓ |