In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 22nd, 2009 | 25 | Yes |
Popular Name: (2S)-2-[4-(o-tolyl)piperazin-1-yl]-N-(4-pyridylmethyl)propanamide (2S)-2-[4-(o-tolyl)piperazin-1-y…
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) | 1.88 | 6.73 | -8.99 | 1 | 5 | 0 | 48 | 338.455 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.88 | 6.72 | -34.7 | 2 | 5 | 1 | 50 | 339.463 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.88 | 7.18 | -77.31 | 3 | 5 | 2 | 51 | 340.471 | 5 | ↓ |