In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 29th, 2011 | 21 | Yes |
Popular Name: (1R,2S)-N-cyclopropyl-2-ethyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexanamine (1R,2S)-N-cyclopropyl-2-ethyl-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) | 4.68 | 9.55 | -33.76 | 2 | 2 | 1 | 29 | 305.511 | 4 | ↓ |
Hi High (pH 8-9.5) | 4.68 | 8.67 | -4.66 | 1 | 2 | 0 | 25 | 304.503 | 4 | ↓ |
Lo Low (pH 4.5-6) | 4.68 | 10.61 | -88.14 | 3 | 2 | 2 | 31 | 306.519 | 4 | ↓ |