| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2008 | 25 | No |
Popular Name: 1-(2,6-dimethylphenyl)-5-[3-(4-methylpiperazin-1-yl)propyl]-1,3,5-triazinane-2-thione 1-(2,6-dimethylphenyl)-5-[3-(4-m…
| 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) | 3.09 | 9.56 | -48.93 | 2 | 5 | 1 | 26 | 362.567 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.09 | 7.09 | -13.96 | 1 | 5 | 0 | 25 | 361.559 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.09 | 9.42 | -54.95 | 2 | 5 | 1 | 26 | 362.567 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.09 | 11.96 | -114.18 | 3 | 5 | 2 | 27 | 363.575 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.