| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 19 | Yes |
Popular Name: (1S,2S)-1-(5-chloro-2-thienyl)-N1-(2-furylmethyl)-N1-methyl-butane-1,2-diamine (1S,2S)-1-(5-chloro-2-thienyl)-N…
| 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) | 3.02 | 5.18 | -46.24 | 3 | 3 | 1 | 44 | 299.847 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.02 | 4.86 | -3.06 | 2 | 3 | 0 | 42 | 298.839 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.02 | 7.19 | -38.25 | 3 | 3 | 1 | 44 | 299.847 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.02 | 7.49 | -118.15 | 4 | 3 | 2 | 45 | 300.855 | 6 | ↓ |
