In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 1st, 2009 | 20 | Yes |
Popular Name: N-[(1S)-1-methyl-2-(o-tolyl)ethyl]-1-propyl-piperidin-4-amine N-[(1S)-1-methyl-2-(o-tolyl)ethy…
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) | 3.93 | 9.74 | -32.03 | 2 | 2 | 1 | 16 | 275.46 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.93 | 8.45 | -35.7 | 2 | 2 | 1 | 20 | 275.46 | 6 | ↓ |
Lo Low (pH 4.5-6) | 3.93 | 10.68 | -100.44 | 3 | 2 | 2 | 21 | 276.468 | 6 | ↓ |