| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 21 | Yes |
Popular Name: (3S)-N,N-diethyl-1-[4-(ethylaminomethyl)-2,5-dimethyl-pyrazol-3-yl]pyrrolidin-3-amine (3S)-N,N-diethyl-1-[4-(ethylamin…
| 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) | 1.60 | 8.55 | -99.1 | 3 | 5 | 2 | 42 | 295.475 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.60 | 5.04 | -4.49 | 1 | 5 | 0 | 36 | 293.459 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.60 | 6.43 | -36.79 | 2 | 5 | 1 | 41 | 294.467 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
