In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 28th, 2011 | 21 | Yes |
Popular Name: (1S,3S)-3-ethyl-N-isopropyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexanamine (1S,3S)-3-ethyl-N-isopropyl-1-(4…
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) | 4.93 | 9.68 | -31.46 | 2 | 2 | 1 | 29 | 307.527 | 4 | ↓ |
Hi High (pH 8-9.5) | 4.93 | 8.23 | -4.45 | 1 | 2 | 0 | 25 | 306.519 | 4 | ↓ |