| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 16 | No |
Popular Name: 2,5-dimethyl-4-[[(3S)-3-methylthiomorpholin-4-yl]methyl]pyrazol-3-amine 2,5-dimethyl-4-[[(3S)-3-methylth…
| 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) | 0.66 | 3.44 | -29.52 | 3 | 4 | 1 | 48 | 241.384 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.66 | 3.31 | -7.07 | 2 | 4 | 0 | 47 | 240.376 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 0.66 | 5.54 | -93.03 | 4 | 4 | 2 | 50 | 242.392 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
