In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 11th, 2009 | 24 | Yes |
Popular Name: N,N,N'-trimethyl-N'-[2-[[(1R)-1-phenyl-2-(1-piperidyl)ethyl]amino]ethyl]ethane-1,2-diamine N,N,N'-trimethyl-N'-[2-[[(1R)-1-…
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) | 2.68 | 9.2 | -81.1 | 3 | 4 | 2 | 24 | 334.552 | 10 | ↓ |
Hi High (pH 8-9.5) | 2.68 | 6.74 | -36.68 | 2 | 4 | 1 | 23 | 333.544 | 10 | ↓ |
Mid Mid (pH 6-8) | 2.68 | 9.03 | -97.8 | 3 | 4 | 2 | 24 | 334.552 | 10 | ↓ |
Mid Mid (pH 6-8) | 2.68 | 11.53 | -182.49 | 4 | 4 | 3 | 25 | 335.56 | 10 | ↓ |