In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 26th, 2010 | 19 | Yes |
Popular Name: 2-[4-(3-aminopropyl)piperazin-1-yl]-N-cyclopropyl-N-ethyl-acetamide 2-[4-(3-aminopropyl)piperazin-1-…
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) | -0.60 | 3.63 | -93.95 | 4 | 5 | 2 | 56 | 270.421 | 7 | ↓ |
Hi High (pH 8-9.5) | -0.60 | 0.95 | -8.15 | 2 | 5 | 0 | 53 | 268.405 | 7 | ↓ |
Mid Mid (pH 6-8) | -0.60 | 1.33 | -48.95 | 3 | 5 | 1 | 54 | 269.413 | 7 | ↓ |
Mid Mid (pH 6-8) | -0.60 | 3.61 | -109.11 | 4 | 5 | 2 | 56 | 270.421 | 7 | ↓ |
Mid Mid (pH 6-8) | -0.60 | 3.23 | -37.09 | 3 | 5 | 1 | 54 | 269.413 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.