In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 22nd, 2009 | 19 | Yes |
Popular Name: N'-[(4S)-6-chlorothiochroman-4-yl]-N,N-diethyl-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) | 2.73 | 7.65 | -42.68 | 2 | 2 | 1 | 20 | 299.891 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.73 | 6.79 | -2.36 | 1 | 2 | 0 | 15 | 298.883 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.73 | 8.96 | -37.2 | 2 | 2 | 1 | 16 | 299.891 | 6 | ↓ |
Lo Low (pH 4.5-6) | 2.73 | 9.79 | -124.02 | 3 | 2 | 2 | 21 | 300.899 | 6 | ↓ |