| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 8th, 2011 | 15 | Yes |
Popular Name: N'-[(3S)-1-cyclopropylpyrrolidin-3-yl]-N-ethyl-propane-1,3-diamine N'-[(3S)-1-cyclopropylpyrrolidin…
| 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) | 0.69 | 4.96 | -79.17 | 4 | 3 | 2 | 33 | 213.369 | 7 | ↓ |
| Hi High (pH 8-9.5) | 0.69 | 2.39 | -38.6 | 3 | 3 | 1 | 32 | 212.361 | 7 | ↓ |
| Hi High (pH 8-9.5) | 0.69 | 2.56 | -36.57 | 3 | 3 | 1 | 32 | 212.361 | 7 | ↓ |
| Hi High (pH 8-9.5) | 0.69 | 3.75 | -106.19 | 4 | 3 | 2 | 36 | 213.369 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 0.69 | 6.15 | -187.5 | 5 | 3 | 3 | 38 | 214.377 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
