In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 22nd, 2009 | 20 | Yes |
Popular Name: (2R)-N1-[(1S)-1-(1-ethyl-4-piperidyl)ethyl]-N2,N2,4-trimethyl-pentane-1,2-diamine (2R)-N1-[(1S)-1-(1-ethyl-4-piper…
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) | 3.28 | 8.13 | -93.05 | 3 | 3 | 2 | 24 | 285.52 | 8 | ↓ |
Hi High (pH 8-9.5) | 3.28 | 7.1 | -30.73 | 2 | 3 | 1 | 20 | 284.512 | 8 | ↓ |
Mid Mid (pH 6-8) | 3.28 | 10.01 | -82.12 | 3 | 3 | 2 | 21 | 285.52 | 8 | ↓ |
Mid Mid (pH 6-8) | 3.28 | 10.14 | -193.65 | 4 | 3 | 3 | 25 | 286.528 | 8 | ↓ |