| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 9th, 2010 | 18 | Yes |
Popular Name: (7S)-N2-methyl-N2-(2-thienylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7S)-N2-methyl-N2-(2-thienylmeth…
| 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) | 0.94 | 6.27 | -45.01 | 3 | 3 | 1 | 44 | 280.442 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.94 | 5.95 | -5.7 | 2 | 3 | 0 | 42 | 279.434 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.94 | 6.67 | -96.22 | 4 | 3 | 2 | 45 | 281.45 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
