In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 3rd, 2010 | 18 | Yes |
Popular Name: 1-[4-[[(1S)-2-(diethylamino)-1-methyl-ethyl]amino]-1-piperidyl]ethanone 1-[4-[[(1S)-2-(diethylamino)-1-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) | 0.99 | 5.72 | -38.32 | 2 | 4 | 1 | 37 | 256.414 | 6 | ↓ |
Hi High (pH 8-9.5) | 0.99 | 4.2 | -6.91 | 1 | 4 | 0 | 36 | 255.406 | 6 | ↓ |
Mid Mid (pH 6-8) | 0.99 | 6.87 | -123.62 | 3 | 4 | 2 | 41 | 257.422 | 6 | ↓ |
Mid Mid (pH 6-8) | 0.99 | 4.95 | -42.26 | 2 | 4 | 1 | 40 | 256.414 | 6 | ↓ |