In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 30th, 2011 | 21 | Yes |
Popular Name: (2S)-N-methyl-1-(1-naphthyl)-3-(4-pyridyl)propan-2-amine (2S)-N-methyl-1-(1-naphthyl)-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) | 3.56 | 9.68 | -48.43 | 2 | 2 | 1 | 29 | 277.391 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.56 | 8.31 | -6.51 | 1 | 2 | 0 | 25 | 276.383 | 5 | ↓ |
Lo Low (pH 4.5-6) | 3.56 | 10.13 | -102.36 | 3 | 2 | 2 | 31 | 278.399 | 5 | ↓ |