In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 17th, 2010 | 18 | Yes |
Popular Name: (1R)-1-(3,5-dimethylphenyl)-N-methyl-2-(3-pyridyl)ethanamine (1R)-1-(3,5-dimethylphenyl)-N-me…
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) | 3.07 | 8.34 | -41.91 | 2 | 2 | 1 | 29 | 241.358 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.07 | 7.2 | -4.61 | 1 | 2 | 0 | 25 | 240.35 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.07 | 8.81 | -102.25 | 3 | 2 | 2 | 31 | 242.366 | 4 | ↓ |