In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 22nd, 2009 | 15 | Yes |
Popular Name: N,N-dimethyl-N'-(1-prop-2-ynyl-4-piperidyl)ethane-1,2-diamine N,N-dimethyl-N'-(1-prop-2-ynyl-4…
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) | 0.71 | 2.23 | -38.95 | 2 | 3 | 1 | 23 | 210.345 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.71 | 3.51 | -35.28 | 2 | 3 | 1 | 20 | 210.345 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.71 | 1.04 | -2.85 | 1 | 3 | 0 | 19 | 209.337 | 5 | ↓ |
Mid Mid (pH 6-8) | 0.71 | 4.72 | -113.02 | 3 | 3 | 2 | 24 | 211.353 | 5 | ↓ |