| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 9th, 2010 | 19 | Yes |
Popular Name: (7S)-N2-methyl-N2-(4-pyridylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7S)-N2-methyl-N2-(4-pyridylmeth…
| 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) | -0.25 | 5.38 | -47.08 | 3 | 4 | 1 | 57 | 275.401 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.25 | 5.06 | -7.83 | 2 | 4 | 0 | 55 | 274.393 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.25 | 5.69 | -100.33 | 4 | 4 | 2 | 58 | 276.409 | 3 | ↓ |
| Lo Low (pH 4.5-6) | -0.25 | 6.15 | -169.93 | 5 | 4 | 3 | 59 | 277.417 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
