In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 17th, 2010 | 14 | Yes |
Popular Name: 3-(4-ethylpiperazin-1-yl)-N,N-dimethyl-propan-1-amine 3-(4-ethylpiperazin-1-yl)-N,N-di…
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) | 0.91 | 5.64 | -79.03 | 2 | 3 | 2 | 12 | 201.358 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.91 | 3.35 | -33.97 | 1 | 3 | 1 | 11 | 200.35 | 5 | ↓ |
Mid Mid (pH 6-8) | 0.91 | 5.64 | -96.32 | 2 | 3 | 2 | 12 | 201.358 | 5 | ↓ |
Mid Mid (pH 6-8) | 0.91 | 3.17 | -32.98 | 1 | 3 | 1 | 11 | 200.35 | 5 | ↓ |