| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 16 | Yes |
Popular Name: (3S)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-N-propyl-pyrrolidin-3-amine (3S)-N-[(4-methyl-1,2,5-oxadiazo…
| 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) | 1.44 | 1.79 | -50.63 | 2 | 5 | 1 | 59 | 225.316 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.44 | 1.07 | -8.14 | 1 | 5 | 0 | 54 | 224.308 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.44 | 3.22 | -48.08 | 2 | 5 | 1 | 55 | 225.316 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.44 | 4.53 | -108.08 | 3 | 5 | 2 | 60 | 226.324 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
