| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 3rd, 2010 | 19 | No |
Popular Name: (2R)-N1,N1-diethyl-N2-[(4S)-isothiochroman-4-yl]propane-1,2-diamine (2R)-N1,N1-diethyl-N2-[(4S)-isot…
| 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) | 3.10 | 8.45 | -32.96 | 2 | 2 | 1 | 20 | 279.473 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.10 | 6.94 | -2.39 | 1 | 2 | 0 | 15 | 278.465 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.10 | 10.11 | -115.57 | 3 | 2 | 2 | 21 | 280.481 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.10 | 9.95 | -34 | 2 | 2 | 1 | 16 | 279.473 | 6 | ↓ |
