In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 30th, 2011 | 17 | Yes |
Popular Name: (1S,3S)-3-methyl-1-(3-methyl-2-pyridyl)-N-propyl-pentan-1-amine (1S,3S)-3-methyl-1-(3-methyl-2-p…
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) | 4.07 | 7.65 | -33.33 | 2 | 2 | 1 | 29 | 235.395 | 7 | ↓ |
Hi High (pH 8-9.5) | 4.07 | 6.91 | -4.17 | 1 | 2 | 0 | 25 | 234.387 | 7 | ↓ |
Lo Low (pH 4.5-6) | 4.07 | 7.22 | -28.53 | 2 | 2 | 1 | 26 | 235.395 | 7 | ↓ |