In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 23rd, 2009 | 20 | Yes |
Popular Name: 1-butyl-N-(1-prop-2-ynyl-4-piperidyl)piperidin-4-amine 1-butyl-N-(1-prop-2-ynyl-4-piper…
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) | 2.54 | 9.11 | -81.61 | 3 | 3 | 2 | 21 | 279.472 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.54 | 5.62 | -38.61 | 2 | 3 | 1 | 23 | 278.464 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.54 | 6.83 | -35.44 | 2 | 3 | 1 | 20 | 278.464 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.54 | 7.84 | -108.13 | 3 | 3 | 2 | 24 | 279.472 | 6 | ↓ |