In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 19th, 2011 | 19 | Yes |
Popular Name: 2-[[(3S)-1-isobutylpyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile 2-[[(3S)-1-isobutylpyrrolidin-3-…
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) | 2.26 | 8.39 | -37.56 | 2 | 4 | 1 | 53 | 259.377 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.