| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 21st, 2010 | 17 | Yes |
Popular Name: (2S,3R)-N2-butyl-N3-ethyl-N2-[(1R)-1-methylpropyl]pentane-2,3-diamine (2S,3R)-N2-butyl-N3-ethyl-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) | 4.35 | 8.59 | -97.57 | 3 | 2 | 2 | 21 | 244.467 | 10 | ↓ |
| Hi High (pH 8-9.5) | 4.35 | 6.59 | -32.94 | 2 | 2 | 1 | 20 | 243.459 | 10 | ↓ |
| Mid Mid (pH 6-8) | 4.35 | 7.41 | -26.94 | 2 | 2 | 1 | 16 | 243.459 | 10 | ↓ |
