| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 9th, 2010 | 20 | Yes |
Popular Name: (7S)-N2,5,5-trimethyl-N2-(3-thienylmethyl)-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine (7S)-N2,5,5-trimethyl-N2-(3-thie…
| 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) | 1.52 | 6.94 | -45.25 | 3 | 3 | 1 | 44 | 308.496 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.52 | 6.62 | -6.03 | 2 | 3 | 0 | 42 | 307.488 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.52 | 7.26 | -97.61 | 4 | 3 | 2 | 45 | 309.504 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
