In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 20th, 2010 | 21 | Yes |
Popular Name: (1S,2S)-N1,N2-dimethyl-1-phenyl-N2-[2-(4-pyridyl)ethyl]propane-1,2-diamine (1S,2S)-N1,N2-dimethyl-1-phenyl-…
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) | 2.55 | 9.27 | -118.3 | 3 | 3 | 2 | 34 | 285.435 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.55 | 6.52 | -4.35 | 1 | 3 | 0 | 28 | 283.419 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.55 | 8.45 | -40.73 | 2 | 3 | 1 | 29 | 284.427 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.55 | 7.53 | -40.56 | 2 | 3 | 1 | 33 | 284.427 | 7 | ↓ |