| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 16 | No |
Popular Name: [(2R,3S)-1-methyl-2-(5-nitro-2-furyl)pyrrolidin-3-yl]methanamine [(2R,3S)-1-methyl-2-(5-nitro-2-f…
| 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) | 0.57 | 1.6 | -55.71 | 3 | 6 | 1 | 90 | 226.256 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.57 | 4.06 | -120.55 | 4 | 6 | 2 | 91 | 227.264 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.57 | 3.68 | -43.44 | 3 | 6 | 1 | 89 | 226.256 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
