In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 22nd, 2009 | 17 | Yes |
Popular Name: N'-[(4S)-6-chlorothiochroman-4-yl]-N,N-dimethyl-ethane-1,2-diamine N'-[(4S)-6-chlorothiochroman-4-y…
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) | 1.98 | 5.97 | -42.25 | 2 | 2 | 1 | 20 | 271.837 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.98 | 5.14 | -2.67 | 1 | 2 | 0 | 15 | 270.829 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.98 | 7.62 | -38.84 | 2 | 2 | 1 | 16 | 271.837 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.98 | 8.44 | -122.92 | 3 | 2 | 2 | 21 | 272.845 | 4 | ↓ |