| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 4th, 2010 | 14 | Yes |
Popular Name: (3S)-N3-methyl-N3-[(1S)-1,2,2-trimethylpropyl]pentane-1,3-diamine (3S)-N3-methyl-N3-[(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) | 2.32 | 5.34 | -104.34 | 4 | 2 | 2 | 32 | 202.386 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.32 | 3.59 | -40.82 | 3 | 2 | 1 | 31 | 201.378 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.32 | 4.95 | -28.35 | 3 | 2 | 1 | 30 | 201.378 | 6 | ↓ |
