| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 30th, 2010 | 16 | Yes |
Popular Name: (2R,3S)-N2-butyl-3-methyl-N2-[(1R)-1-methylpropyl]pentane-1,2-diamine (2R,3S)-N2-butyl-3-methyl-N2-[(1…
| 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) | 3.41 | 4.53 | -40.03 | 3 | 2 | 1 | 31 | 229.432 | 9 | ↓ |
| Mid Mid (pH 6-8) | 3.41 | 6.78 | -113.12 | 4 | 2 | 2 | 32 | 230.44 | 9 | ↓ |
| Mid Mid (pH 6-8) | 3.41 | 6.43 | -26.11 | 3 | 2 | 1 | 30 | 229.432 | 9 | ↓ |
