In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 27th, 2010 | 20 | Yes |
Popular Name: (2S)-2-[[4-(m-tolyl)piperazin-1-yl]methyl]cyclopentanone (2S)-2-[[4-(m-tolyl)piperazin-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) | 2.80 | 9.81 | -44.4 | 1 | 3 | 1 | 25 | 273.4 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.80 | 8.07 | -6.79 | 0 | 3 | 0 | 24 | 272.392 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.