In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 6th, 2008 | 17 | Yes |
Popular Name: (2S)-4-(2,4-dichlorophenoxy)-N,N-dimethyl-butane-1,2-diamine (2S)-4-(2,4-dichlorophenoxy)-N,N…
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) | 2.37 | 3.91 | -46.46 | 3 | 3 | 1 | 40 | 278.203 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.37 | 5.89 | -37.64 | 3 | 3 | 1 | 40 | 278.203 | 6 | ↓ |
Lo Low (pH 4.5-6) | 2.37 | 6.07 | -128.32 | 4 | 3 | 2 | 41 | 279.211 | 6 | ↓ |