In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 15th, 2010 | 17 | Yes |
Popular Name: (1S,2S)-2-[(1-methyl-4-piperidyl)methylamino]cycloheptanol (1S,2S)-2-[(1-methyl-4-piperidyl…
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) | 2.16 | 5.35 | -90.25 | 4 | 3 | 2 | 41 | 242.407 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.16 | 4.38 | -31.81 | 3 | 3 | 1 | 37 | 241.399 | 3 | ↓ |