| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 21st, 2011 | 18 | Yes |
Popular Name: (3S)-N,N-diethyl-1-[(1S,2R)-2-(ethylamino)cyclopentyl]pyrrolidin-3-amine (3S)-N,N-diethyl-1-[(1S,2R)-2-(e…
| 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) | 2.29 | 7.22 | -82.47 | 3 | 3 | 2 | 24 | 255.45 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.29 | 3.86 | -0.79 | 1 | 3 | 0 | 19 | 253.434 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.29 | 6.53 | -29.74 | 2 | 3 | 1 | 20 | 254.442 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.29 | 5.12 | -30.78 | 2 | 3 | 1 | 23 | 254.442 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
