In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 20th, 2010 | 14 | Yes |
Popular Name: (1S,2R)-2-[(2R,3R)-2,3-dimethyl-1-piperidyl]cyclopentanamine (1S,2R)-2-[(2R,3R)-2,3-dimethyl-…
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) | 1.58 | 5.65 | -113.39 | 4 | 2 | 2 | 32 | 198.354 | 1 | ↓ |
Hi High (pH 8-9.5) | 1.58 | 4.22 | -36.82 | 3 | 2 | 1 | 31 | 197.346 | 1 | ↓ |
Mid Mid (pH 6-8) | 1.58 | 5.36 | -25.17 | 3 | 2 | 1 | 30 | 197.346 | 1 | ↓ |