| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 9th, 2010 | 21 | Yes |
Popular Name: (7S)-N2,N7-dimethyl-N2-[2-(4-pyridyl)ethyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7S)-N2,N7-dimethyl-N2-[2-(4-pyr…
| 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) | 2.41 | 7.9 | -42.54 | 2 | 4 | 1 | 46 | 303.455 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.41 | 6.48 | -9.24 | 1 | 4 | 0 | 41 | 302.447 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.41 | 8.3 | -95.51 | 3 | 4 | 2 | 47 | 304.463 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.41 | 8.35 | -78.53 | 3 | 4 | 2 | 47 | 304.463 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.41 | 8.76 | -156.14 | 4 | 4 | 3 | 48 | 305.471 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
