| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 20 | Yes |
Popular Name: (3S)-1-[2-isopropyl-4-(methylaminomethyl)pyrimidin-5-yl]-N,N-dimethyl-pyrrolidin-3-amine (3S)-1-[2-isopropyl-4-(methylami…
| 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) | 1.35 | 7.11 | -101.52 | 3 | 5 | 2 | 50 | 279.432 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.35 | 3.25 | -3.88 | 1 | 5 | 0 | 44 | 277.416 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.35 | 4.71 | -36.73 | 2 | 5 | 1 | 49 | 278.424 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
