| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 21st, 2010 | 17 | Yes |
Popular Name: (3R,4S)-N3-isobutyl-N3-isopropyl-N4-methyl-heptane-3,4-diamine (3R,4S)-N3-isobutyl-N3-isopropyl…
| 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) | 4.21 | 8.53 | -101.4 | 3 | 2 | 2 | 21 | 244.467 | 9 | ↓ |
| Mid Mid (pH 6-8) | 4.21 | 7.15 | -26.01 | 2 | 2 | 1 | 16 | 243.459 | 9 | ↓ |
