| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 21st, 2010 | 18 | Yes |
Popular Name: (1S,2S)-N2-isobutyl-N2-(2-methoxyethyl)-N1-propyl-cyclopentane-1,2-diamine (1S,2S)-N2-isobutyl-N2-(2-methox…
| 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) | 3.00 | 8.31 | -96.99 | 3 | 3 | 2 | 30 | 258.45 | 9 | ↓ |
| Hi High (pH 8-9.5) | 3.00 | 5.1 | -1.07 | 1 | 3 | 0 | 24 | 256.434 | 9 | ↓ |
| Hi High (pH 8-9.5) | 3.00 | 7.4 | -28.06 | 2 | 3 | 1 | 26 | 257.442 | 9 | ↓ |
| Mid Mid (pH 6-8) | 3.00 | 6.24 | -37.58 | 2 | 3 | 1 | 29 | 257.442 | 9 | ↓ |
