In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 1st, 2010 | 15 | Yes |
Popular Name: (3R)-N3-(1-ethyl-4-piperidyl)-N3-methyl-butane-1,3-diamine (3R)-N3-(1-ethyl-4-piperidyl)-N3…
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) | 0.54 | 3.06 | -83.94 | 4 | 3 | 2 | 35 | 215.385 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.54 | 2.48 | -31.3 | 3 | 3 | 1 | 34 | 214.377 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.54 | 4.74 | -93.99 | 4 | 3 | 2 | 35 | 215.385 | 5 | ↓ |