In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 19th, 2011 | 18 | No |
Popular Name: [(2R,6R)-2,6-dimethylpiperazin-1-yl]-(4-nitro-1H-pyrrol-2-yl)methanone [(2R,6R)-2,6-dimethylpiperazin-1…
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) | 0.37 | 4.33 | -55.89 | 2 | 7 | 0 | 97 | 252.274 | 2 | ↓ |
Mid Mid (pH 6-8) | 0.37 | 2.97 | -31.98 | 1 | 7 | -1 | 92 | 251.266 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.