| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 4th, 2010 | 13 | Yes |
Popular Name: (3S)-N1-methyl-N1-[(1S)-1,2,2-trimethylpropyl]butane-1,3-diamine (3S)-N1-methyl-N1-[(1S)-1,2,2-tr…
| 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) | 1.85 | 4.94 | -104.95 | 4 | 2 | 2 | 32 | 188.359 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.85 | 4.65 | -28.38 | 3 | 2 | 1 | 30 | 187.351 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.85 | 3.31 | -40.04 | 3 | 2 | 1 | 31 | 187.351 | 5 | ↓ |
