In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 5th, 2010 | 19 | Yes |
Popular Name: (3S,4R)-3-methyl-1-[[(1R,2S)-2-methylcyclohexyl]methyl]-N-propyl-piperidin-4-amine (3S,4R)-3-methyl-1-[[(1R,2S)-2-m…
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) | 4.40 | 9.14 | -33.26 | 2 | 2 | 1 | 16 | 267.481 | 5 | ↓ |
Mid Mid (pH 6-8) | 4.40 | 8.59 | -35.16 | 2 | 2 | 1 | 20 | 267.481 | 5 | ↓ |
Mid Mid (pH 6-8) | 4.40 | 10.19 | -103.81 | 3 | 2 | 2 | 21 | 268.489 | 5 | ↓ |