| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 5th, 2011 | 22 | No |
Popular Name: (2R)-3-methyl-2-[(3-nitro-2-pyridyl)amino]-1-piperazin-1-yl-butan-1-one (2R)-3-methyl-2-[(3-nitro-2-pyri…
| 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) | 0.56 | 5.46 | -59.94 | 3 | 8 | 1 | 108 | 308.362 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.56 | 4.4 | -15.15 | 2 | 8 | 0 | 103 | 307.354 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
