In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 16th, 2008 | 20 | Yes |
Popular Name: (1S)-N,N-dimethyl-1-phenyl-N'-[(1S)-1-(4-pyridyl)ethyl]ethane-1,2-diamine (1S)-N,N-dimethyl-1-phenyl-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) | 2.38 | 7.93 | -38.59 | 2 | 3 | 1 | 29 | 270.4 | 6 | ↓ |
Lo Low (pH 4.5-6) | 2.38 | 8.37 | -88.18 | 3 | 3 | 2 | 31 | 271.408 | 6 | ↓ |