| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 19 | Yes |
Popular Name: (3S)-1-[4-(aminomethyl)-2-isopropyl-pyrimidin-5-yl]-N,N-dimethyl-pyrrolidin-3-amine (3S)-1-[4-(aminomethyl)-2-isopro…
| 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) | 0.98 | 5.24 | -107.06 | 4 | 5 | 2 | 61 | 265.405 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.98 | 4.84 | -42.18 | 3 | 5 | 1 | 59 | 264.397 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.98 | 2.43 | -4.24 | 2 | 5 | 0 | 58 | 263.389 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.98 | 2.83 | -42.26 | 3 | 5 | 1 | 60 | 264.397 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
