In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 16th, 2011 | 19 | Yes |
Popular Name: [(3R)-3-ethyl-3-piperidyl]-(4-isopropylpiperazin-1-yl)methanone [(3R)-3-ethyl-3-piperidyl]-(4-is…
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) | 1.01 | 3.79 | -43.57 | 2 | 4 | 1 | 40 | 268.425 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.01 | 5.98 | -100.02 | 3 | 4 | 2 | 41 | 269.433 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.