In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 15th, 2011 | 16 | Yes |
Popular Name: (1R)-1-cyclopropyl-2-[(3R)-3,4-dimethylpiperazin-1-yl]-N-ethyl-ethanamine (1R)-1-cyclopropyl-2-[(3R)-3,4-d…
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) | 1.58 | 5.94 | -87.81 | 3 | 3 | 2 | 24 | 227.396 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.58 | 3.64 | -32.49 | 2 | 3 | 1 | 23 | 226.388 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.