In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 17th, 2010 | 19 | Yes |
Popular Name: N-[(1R)-1-(3-chlorophenyl)-2-(3-pyridyl)ethyl]propan-1-amine N-[(1R)-1-(3-chlorophenyl)-2-(3-…
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) | 3.78 | 9.13 | -44.81 | 2 | 2 | 1 | 29 | 275.803 | 6 | ↓ |
Hi High (pH 8-9.5) | 3.78 | 8.11 | -4.31 | 1 | 2 | 0 | 25 | 274.795 | 6 | ↓ |
Lo Low (pH 4.5-6) | 3.78 | 9.6 | -106.57 | 3 | 2 | 2 | 31 | 276.811 | 6 | ↓ |