In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 19th, 2009 | 19 | Yes |
Popular Name: (1S)-N-methyl-1-phenyl-N-[2-(4-pyridyl)ethyl]ethane-1,2-diamine (1S)-N-methyl-1-phenyl-N-[2-(4-p…
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) | 1.24 | 5.02 | -46.3 | 3 | 3 | 1 | 44 | 256.373 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.24 | 5.61 | -99.21 | 4 | 3 | 2 | 45 | 257.381 | 6 | ↓ |