| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 5th, 2010 | 15 | Yes |
Popular Name: (3S)-N1,N1-dimethyl-N3-(4-pyridylmethyl)butane-1,3-diamine (3S)-N1,N1-dimethyl-N3-(4-pyridy…
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| 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) | 0.84 | 6.11 | -110.31 | 3 | 3 | 2 | 34 | 209.337 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.84 | 3.65 | -43.01 | 2 | 3 | 1 | 33 | 208.329 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.84 | 4.92 | -38.7 | 2 | 3 | 1 | 29 | 208.329 | 6 | ↓ |
