| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 4th, 2010 | 21 | No |
Popular Name: 2-[2-dimethylaminoethyl(isobutyl)amino]-4,6-dimethyl-pyridine-3-carbothioamide 2-[2-dimethylaminoethyl(isobutyl…
| 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) | 2.86 | 9.41 | -95.76 | 4 | 4 | 2 | 48 | 310.511 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.86 | 6.53 | -10.29 | 2 | 4 | 0 | 45 | 308.495 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.86 | 9.49 | -44.87 | 3 | 4 | 1 | 47 | 309.503 | 7 | ↓ |
