In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 6th, 2010 | 15 | Yes |
Popular Name: (1S,2S)-1-(4-chlorophenyl)-N1,N1-dimethyl-butane-1,2-diamine (1S,2S)-1-(4-chlorophenyl)-N1,N1…
None
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) | 2.34 | 6.25 | -116.63 | 4 | 2 | 2 | 32 | 228.767 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.34 | 4.62 | -41.94 | 3 | 2 | 1 | 31 | 227.759 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.34 | 5.93 | -35.59 | 3 | 2 | 1 | 30 | 227.759 | 4 | ↓ |