In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 17th, 2010 | 20 | Yes |
Popular Name: (1S,3R)-N-isopropyl-3-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexanamine (1S,3R)-N-isopropyl-3-methyl-1-(…
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) | 4.25 | 9.16 | -23.22 | 2 | 2 | 0 | 29 | 293.5 | 3 | ↓ |
Hi High (pH 8-9.5) | 4.25 | 7.28 | -4.29 | 1 | 2 | 0 | 25 | 292.492 | 3 | ↓ |