In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 9th, 2010 | 20 | Yes |
Popular Name: (7R)-N2-cyclohexyl-N7-ethyl-N2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7R)-N2-cyclohexyl-N7-ethyl-N2-m…
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) | 4.18 | 9.16 | -37.1 | 2 | 3 | 1 | 33 | 294.488 | 4 | ↓ |
Hi High (pH 8-9.5) | 4.18 | 7.83 | -4.96 | 1 | 3 | 0 | 28 | 293.48 | 4 | ↓ |
Mid Mid (pH 6-8) | 4.18 | 9.49 | -85.66 | 3 | 3 | 2 | 34 | 295.496 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.