| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 9th, 2010 | 20 | Yes |
Popular Name: (7S)-2-[ethyl(4-pyridylmethyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol (7S)-2-[ethyl(4-pyridylmethyl)am…
| 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) | 1.83 | 5.74 | -8.99 | 1 | 4 | 0 | 49 | 289.404 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.83 | 6.2 | -37.57 | 2 | 4 | 1 | 50 | 290.412 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.83 | 6.51 | -82.2 | 3 | 4 | 2 | 52 | 291.42 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.83 | 6.05 | -30.16 | 2 | 4 | 1 | 50 | 290.412 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
