| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 9th, 2010 | 17 | Yes |
Popular Name: 2-[methyl-[(3S)-1-methyl-3-piperidyl]amino]thiazole-5-carboxylic 2-[methyl-[(3S)-1-methyl-3-piper…
| 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) | 1.32 | 7.27 | -75.44 | 1 | 5 | 0 | 61 | 255.343 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.32 | 4.9 | -51.18 | 0 | 5 | -1 | 59 | 254.335 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.32 | 7.66 | -87.57 | 2 | 5 | 1 | 62 | 256.351 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
