| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 21st, 2010 | 19 | No |
Popular Name: 2-[methyl-[[(2S)-tetrahydrofuran-2-yl]methyl]amino]-1-(4-nitro-1H-pyrrol-2-yl)ethanone 2-[methyl-[[(2S)-tetrahydrofuran…
| 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) | 0.91 | 5.7 | -35.5 | 1 | 7 | 0 | 91 | 267.285 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.91 | 3.89 | -17.23 | 1 | 7 | 0 | 91 | 267.285 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.91 | 3.44 | -33.13 | 0 | 7 | -1 | 89 | 266.277 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 0.91 | 6.15 | -52.87 | 2 | 7 | 1 | 92 | 268.293 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
