| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 21st, 2010 | 16 | Yes |
Popular Name: (3S)-N1-butyl-N3-ethyl-N1-[(1S)-1-methylpropyl]butane-1,3-diamine (3S)-N1-butyl-N3-ethyl-N1-[(1S)-…
| 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) | 3.75 | 8.71 | -100.87 | 3 | 2 | 2 | 21 | 230.44 | 10 | ↓ |
| Hi High (pH 8-9.5) | 3.75 | 7.53 | -31.47 | 2 | 2 | 1 | 16 | 229.432 | 10 | ↓ |
| Mid Mid (pH 6-8) | 3.75 | 6.43 | -33.91 | 2 | 2 | 1 | 20 | 229.432 | 10 | ↓ |
