In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 19th, 2010 | 18 | Yes |
Popular Name: (1S,2R)-2-phenyl-N-[(1R)-1-(4-pyridyl)ethyl]cyclopropanamine (1S,2R)-2-phenyl-N-[(1R)-1-(4-py…
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) | 2.47 | 7.36 | -5.21 | 1 | 2 | 0 | 25 | 238.334 | 4 | ↓ |
Lo Low (pH 4.5-6) | 2.47 | 8.38 | -44.53 | 2 | 2 | 1 | 29 | 239.342 | 4 | ↓ |
Lo Low (pH 4.5-6) | 2.47 | 7.82 | -32.89 | 2 | 2 | 1 | 26 | 239.342 | 4 | ↓ |