| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 15 | Yes |
Popular Name: (2S,3S)-1-isopropyl-2-(1-methylpyrazol-4-yl)pyrrolidin-3-amine (2S,3S)-1-isopropyl-2-(1-methylp…
| 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) | -0.03 | 1.45 | -5.02 | 2 | 4 | 0 | 47 | 208.309 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.03 | 1.64 | -39.7 | 3 | 4 | 1 | 49 | 209.317 | 2 | ↓ |
| Lo Low (pH 4.5-6) | -0.03 | 3.71 | -105.87 | 4 | 4 | 2 | 50 | 210.325 | 2 | ↓ |
| Lo Low (pH 4.5-6) | -0.03 | 3.55 | -32.02 | 3 | 4 | 1 | 48 | 209.317 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
