In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 20th, 2010 | 18 | Yes |
Popular Name: 1-[(3S,4S)-4-(ethylamino)tetrahydropyran-3-yl]-N,N-dimethyl-piperidin-4-amine 1-[(3S,4S)-4-(ethylamino)tetrahy…
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) | 1.01 | 4.01 | -113.32 | 3 | 4 | 2 | 34 | 257.422 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.01 | 3.22 | -32.91 | 2 | 4 | 1 | 29 | 256.414 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.01 | 2.99 | -30.91 | 2 | 4 | 1 | 29 | 256.414 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.01 | 6.62 | -197.21 | 4 | 4 | 3 | 35 | 258.43 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.01 | 4.7 | -86.73 | 3 | 4 | 2 | 34 | 257.422 | 4 | ↓ |