| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 4th, 2010 | 13 | Yes |
Popular Name: (2S,3S)-N3-methyl-N3-[(1S)-1,2,2-trimethylpropyl]butane-2,3-diamine (2S,3S)-N3-methyl-N3-[(1S)-1,2,2…
| 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) | 1.91 | 3.81 | -102.48 | 4 | 2 | 2 | 32 | 188.359 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.91 | 3.33 | -37.74 | 3 | 2 | 1 | 31 | 187.351 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.91 | 3.51 | -27.92 | 3 | 2 | 1 | 30 | 187.351 | 4 | ↓ |
