In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2009 | 21 | Yes |
Popular Name: (1S)-2-ethyl-1-phenyl-N-[(1R)-1-(3-pyridyl)ethyl]butan-1-amine (1S)-2-ethyl-1-phenyl-N-[(1R)-1-…
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) | 4.53 | 10.24 | -36.02 | 2 | 2 | 1 | 29 | 283.439 | 7 | ↓ |
Hi High (pH 8-9.5) | 4.53 | 10.09 | -3.46 | 1 | 2 | 0 | 25 | 282.431 | 7 | ↓ |