| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 9th, 2010 | 18 | Yes |
Popular Name: (7S)-N2-butyl-N2-cyclopropyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7S)-N2-butyl-N2-cyclopropyl-4,5…
| 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) | 1.45 | 7.01 | -44.56 | 3 | 3 | 1 | 44 | 266.434 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.45 | 6.68 | -5.02 | 2 | 3 | 0 | 42 | 265.426 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.45 | 7.42 | -92.49 | 4 | 3 | 2 | 45 | 267.442 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
