| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 23rd, 2009 | 27 | Yes |
Popular Name: [(2S)-4-methyl-2-phenyl-piperazin-1-yl]-(3,4,6-trimethylthieno[2,3-b]pyridin-2-yl)methanone [(2S)-4-methyl-2-phenyl-piperazi…
| 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) | 4.35 | 8.48 | -9.66 | 0 | 4 | 0 | 36 | 379.529 | 2 | ↓ |
| Mid Mid (pH 6-8) | 4.35 | 10.89 | -49.09 | 1 | 4 | 1 | 38 | 380.537 | 2 | ↓ |
| Mid Mid (pH 6-8) | 4.35 | 8.86 | -34.37 | 1 | 4 | 1 | 38 | 380.537 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 4.35 | 11.28 | -92.04 | 2 | 4 | 2 | 39 | 381.545 | 2 | ↓ |
