| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 10th, 2011 | 18 | No |
Popular Name: 2-[cyclobutylmethyl(methyl)amino]-1-(4-nitro-1H-pyrrol-2-yl)ethanone 2-[cyclobutylmethyl(methyl)amino…
| 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) | 1.57 | 7.36 | -35.12 | 1 | 6 | 0 | 81 | 251.286 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.57 | 5.1 | -29.23 | 0 | 6 | -1 | 80 | 250.278 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.57 | 7.81 | -55.04 | 2 | 6 | 1 | 83 | 252.294 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
