| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2009 | 19 | Yes |
Popular Name: (2S)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-methyl-2-pyrrolidin-1-yl-butan-1-amine (2S)-N-[(3,5-dimethyl-1H-pyrazol…
| 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) | 1.79 | 6.85 | -33.09 | 3 | 4 | 1 | 45 | 265.425 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.79 | 7.3 | -117.65 | 4 | 4 | 2 | 50 | 266.433 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.79 | 4.64 | -41.04 | 3 | 4 | 1 | 49 | 265.425 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
