In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 21st, 2010 | 20 | No |
Popular Name: 5-nitro-2-[[(1S)-1-(4-pyridyl)ethyl]amino]pyridine-3-carbonitrile 5-nitro-2-[[(1S)-1-(4-pyridyl)et…
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) | 1.38 | 6.66 | -8.59 | 1 | 7 | 0 | 107 | 269.264 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.38 | 7.12 | -41.94 | 2 | 7 | 1 | 109 | 270.272 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.