| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 5th, 2009 | 18 | No |
Popular Name: [(2S)-2-(hydroxymethyl)-1-piperidyl]-(4-nitro-1H-pyrrol-2-yl)methanone [(2S)-2-(hydroxymethyl)-1-piperi…
| 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) | 0.68 | 4.12 | -33.5 | 1 | 7 | -1 | 100 | 252.25 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.68 | 4.27 | -13.97 | 2 | 7 | 0 | 102 | 253.258 | 3 | ↓ |
