| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 15th, 2011 | 16 | Yes |
Popular Name: (4-chloro-1H-pyrrol-2-yl)-[(2S,6S)-2,6-dimethylpiperazin-1-yl]methanone (4-chloro-1H-pyrrol-2-yl)-[(2S,6…
| 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) | 1.09 | 4.17 | -55.55 | 3 | 4 | 1 | 53 | 242.73 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.09 | 2.85 | -8.89 | 2 | 4 | 0 | 48 | 241.722 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
