| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 19 | Yes |
Popular Name: N-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-1-[(2S)-4-ethylmorpholin-2-yl]methanamine N-[(5-chloro-1,3-dimethyl-pyrazo…
| 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) | 1.14 | 3.26 | -40.15 | 2 | 5 | 1 | 47 | 287.815 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.14 | 1.84 | -6.34 | 1 | 5 | 0 | 42 | 286.807 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.14 | 5.54 | -102.94 | 3 | 5 | 2 | 48 | 288.823 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.14 | 4.12 | -38.86 | 2 | 5 | 1 | 44 | 287.815 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
