In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 20th, 2010 | 17 | Yes |
Popular Name: (3S,4S)-N-ethyl-3-[(3S)-3-ethyl-1-piperidyl]tetrahydropyran-4-amine (3S,4S)-N-ethyl-3-[(3S)-3-ethyl-…
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) | 2.25 | 6.84 | -110.89 | 3 | 3 | 2 | 30 | 242.407 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.25 | 4.2 | -0.8 | 1 | 3 | 0 | 24 | 240.391 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.25 | 5.93 | -31.98 | 2 | 3 | 1 | 26 | 241.399 | 4 | ↓ |