In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 18th, 2011 | 19 | Yes |
Popular Name: (1R)-1-cyclopropyl-N'-(1-ethyl-4-piperidyl)-N'-methyl-N-propyl-ethane-1,2-diamine (1R)-1-cyclopropyl-N'-(1-ethyl-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) | 2.66 | 8.03 | -84.78 | 3 | 3 | 2 | 24 | 269.477 | 8 | ↓ |
Hi High (pH 8-9.5) | 2.66 | 6.37 | -31.36 | 2 | 3 | 1 | 20 | 268.469 | 8 | ↓ |
Lo Low (pH 4.5-6) | 2.66 | 9.98 | -201.53 | 4 | 3 | 3 | 25 | 270.485 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.