| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 28th, 2009 | 27 | Yes |
Popular Name: [4-(4-pyridylmethyl)piperazin-1-yl]-(3,4,6-trimethylthieno[5,4-b]pyridin-2-yl)methanone [4-(4-pyridylmethyl)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) | 2.88 | 7.12 | -12.4 | 0 | 5 | 0 | 49 | 380.517 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.88 | 9.41 | -53.12 | 1 | 5 | 1 | 51 | 381.525 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.88 | 7.51 | -37.08 | 1 | 5 | 1 | 51 | 381.525 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.88 | 9.8 | -93.59 | 2 | 5 | 2 | 52 | 382.533 | 3 | ↓ |
