In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 13th, 2008 | 16 | Yes |
Popular Name: N,N-dimethyl-N'-[(4R)-thiochroman-4-yl]ethane-1,2-diamine N,N-dimethyl-N'-[(4R)-thiochroma…
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) | 1.33 | 5.24 | -45.89 | 2 | 2 | 1 | 20 | 237.392 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.32 | 4.27 | -3.72 | 1 | 2 | 0 | 15 | 236.384 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.32 | 7.93 | -123.1 | 3 | 2 | 2 | 21 | 238.4 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.33 | 6.78 | -36.84 | 2 | 2 | 1 | 16 | 237.392 | 4 | ↓ |