In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 17th, 2008 | 25 | No |
Popular Name: (2R)-2-[4-(2-methylpropanoyl)piperazin-1-yl]-N-(3-nitrophenyl)propanamide (2R)-2-[4-(2-methylpropanoyl)pip…
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) | 1.75 | 5.7 | -23.46 | 1 | 8 | 0 | 98 | 348.403 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.75 | 7.97 | -55.77 | 2 | 8 | 1 | 100 | 349.411 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.