In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 17th, 2010 | 20 | Yes |
Popular Name: N-[(1S)-1-cyclohexyl-1-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)ethyl]propan-1-amine N-[(1S)-1-cyclohexyl-1-(5,6-dihy…
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) | 4.92 | 9.32 | -37.12 | 2 | 2 | 1 | 29 | 293.5 | 5 | ↓ |
Hi High (pH 8-9.5) | 4.92 | 8.2 | -5.45 | 1 | 2 | 0 | 25 | 292.492 | 5 | ↓ |
Lo Low (pH 4.5-6) | 4.92 | 9.51 | -94.36 | 3 | 2 | 2 | 31 | 294.508 | 5 | ↓ |