In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 22nd, 2009 | 18 | Yes |
Popular Name: N'-[(4S)-6,8-dichlorochroman-4-yl]-N,N-dimethyl-ethane-1,2-diamine N'-[(4S)-6,8-dichlorochroman-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) | 2.21 | 4.9 | -45.83 | 2 | 3 | 1 | 29 | 290.214 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.21 | 3.94 | -3.25 | 1 | 3 | 0 | 24 | 289.206 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.21 | 6.43 | -40.38 | 2 | 3 | 1 | 26 | 290.214 | 4 | ↓ |
Lo Low (pH 4.5-6) | 2.21 | 7.37 | -126.74 | 3 | 3 | 2 | 30 | 291.222 | 4 | ↓ |